[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone

C83H107N29O8S — CID 158700516

About [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone

[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone (PubChem CID 158700516) has the molecular formula C83H107N29O8S and a molecular weight of 1671.03 g/mol. Its IUPAC name is [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone.

Molecular Properties

• Compound Name: [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone
• PubChem CID: 158700516
• Molecular Formula: C83H107N29O8S
• Molecular Weight: 1671.03 g/mol
• Exact Mass: 1669.86
• IUPAC Name: [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone
• SMILES: CCCCNc1nc(N)nc2c1CCN(C(=O)c1cocn1)C2.CCCCNc1nc(N)nc2c1CCN(C(=O)c1nccc3ccccc13)C2.CCCCNc1nc(N)nc2c1CN(C(=O)c1cc(C)on1)CC2.CCCCNc1nc(N)nc2c1CN(C(=O)c1ccsc1)CC2.CCCCNc1nc(N)nc2c1CN(C(=O)c1cocn1)CC2
• InChI: InChI=1S/C21H24N6O.C16H22N6O2.C16H21N5OS.2C15H20N6O2/c1-2-3-10-24-19-16-9-12-27(13-17(16)25-21(22)26-19)20(28)18-15-7-5-4-6-14(15)8-11-23-18;1-3-4-6-18-14-11-9-22(7-5-12(11)19-16(17)20-14)15(23)13-8-10(2)24-21-13;1-2-3-6-18-14-12-9-21(15(22)11-5-8-23-10-11)7-4-13(12)19-16(17)20-14;1-2-3-5-17-13-10-7-21(14(22)12-8-23-9-18-12)6-4-11(10)19-15(16)20-13;1-2-3-5-17-13-10-4-6-21(7-11(10)19-15(16)20-13)14(22)12-8-23-9-18-12/h4-8,11H,2-3,9-10,12-13H2,1H3,(H3,22,24,25,26);8H,3-7,9H2,1-2H3,(H3,17,18,19,20);5,8,10H,2-4,6-7,9H2,1H3,(H3,17,18,19,20);2*8-9H,2-7H2,1H3,(H3,16,17,19,20)
• InChIKey: IHMHDLGCROSJJR-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 511.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1671.03
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone?

The IUPAC name of [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone (CID 158700516) is [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone.

What is the SMILES notation for [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone?

The canonical SMILES for [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone is CCCCNc1nc(N)nc2c1CCN(C(=O)c1cocn1)C2.CCCCNc1nc(N)nc2c1CCN(C(=O)c1nccc3ccccc13)C2.CCCCNc1nc(N)nc2c1CN(C(=O)c1cc(C)on1)CC2.CCCCNc1nc(N)nc2c1CN(C(=O)c1ccsc1)CC2.CCCCNc1nc(N)nc2c1CN(C(=O)c1cocn1)CC2.

What is the InChIKey of [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone?

The InChIKey is IHMHDLGCROSJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.C16H22N6O2.C16H21N5OS.2C15H20N6O2/c1-2-3-10-24-19-16-9-12-27(13-17(16)25-21(22)26-19)20(28)18-15-7-5-4-6-14(15)8-11-23-18;1-3-4-6-18-14-11-9-22(7-5-12(11)19-16(17)20-14)15(23)13-8-10(2)24-21-13;1-2-3-6-18-14-12-9-21(15(22)11-5-8-23-10-11)7-4-13(12)19-16(17)20-14;1-2-3-5-17-13-10-7-21(14(22)12-8-23-9-18-12)6-4-11(10)19-15(16)20-13;1-2-3-5-17-13-10-4-6-21(7-11(10)19-15(16)20-13)14(22)12-8-23-9-18-12/h4-8,11H,2-3,9-10,12-13H2,1H3,(H3,22,24,25,26);8H,3-7,9H2,1-2H3,(H3,17,18,19,20);5,8,10H,2-4,6-7,9H2,1H3,(H3,17,18,19,20);2*8-9H,2-7H2,1H3,(H3,16,17,19,20).

What are the key properties of [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone?

[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone has a molecular weight of 1671.03 g/mol, XLogP of 10.23, 25 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-isoquinolin-1-ylmethanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-oxazol-4-yl)methanone;[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 158700516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).