[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone

C77H112N28O5S3 — CID 157114904

About [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone

[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone (PubChem CID 157114904) has the molecular formula C77H112N28O5S3 and a molecular weight of 1606.13 g/mol. Its IUPAC name is [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone.

Molecular Properties

• Compound Name: [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone
• PubChem CID: 157114904
• Molecular Formula: C77H112N28O5S3
• Molecular Weight: 1606.13 g/mol
• Exact Mass: 1604.85
• IUPAC Name: [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone
• SMILES: CCCCNc1nc(N)nc2c1CCN(C(=O)C(C)C)C2.CCCCNc1nc(N)nc2c1CCN(C(=O)C1CCC1)C2.CCCCNc1nc(N)nc2c1CCN(C(=O)c1cccs1)C2.CCCCNc1nc(N)nc2c1CCN(C(=O)c1csc(N)n1)C2.CCCCNc1nc(N)nc2c1CCN(C(=O)c1cscn1)C2
• InChI: InChI=1S/C16H21N5OS.C16H25N5O.C15H21N7OS.C15H20N6OS.C15H25N5O/c1-2-3-7-18-14-11-6-8-21(10-12(11)19-16(17)20-14)15(22)13-5-4-9-23-13;1-2-3-8-18-14-12-7-9-21(15(22)11-5-4-6-11)10-13(12)19-16(17)20-14;1-2-3-5-18-12-9-4-6-22(7-10(9)19-14(16)21-12)13(23)11-8-24-15(17)20-11;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;1-4-5-7-17-13-11-6-8-20(14(21)10(2)3)9-12(11)18-15(16)19-13/h4-5,9H,2-3,6-8,10H2,1H3,(H3,17,18,19,20);11H,2-10H2,1H3,(H3,17,18,19,20);8H,2-7H2,1H3,(H2,17,20)(H3,16,18,19,21);8-9H,2-7H2,1H3,(H3,16,17,19,20);10H,4-9H2,1-3H3,(H3,16,17,18,19)
• InChIKey: AHGYWVWMAMOLEZ-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 472.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1606.13
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

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]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone?

The IUPAC name of [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone (CID 157114904) is [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone.

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

The canonical SMILES for [2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone is CCCCNc1nc(N)nc2c1CCN(C(=O)C(C)C)C2.CCCCNc1nc(N)nc2c1CCN(C(=O)C1CCC1)C2.CCCCNc1nc(N)nc2c1CCN(C(=O)c1cccs1)C2.CCCCNc1nc(N)nc2c1CCN(C(=O)c1csc(N)n1)C2.CCCCNc1nc(N)nc2c1CCN(C(=O)c1cscn1)C2.

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

The InChIKey is AHGYWVWMAMOLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS.C16H25N5O.C15H21N7OS.C15H20N6OS.C15H25N5O/c1-2-3-7-18-14-11-6-8-21(10-12(11)19-16(17)20-14)15(22)13-5-4-9-23-13;1-2-3-8-18-14-12-7-9-21(15(22)11-5-4-6-11)10-13(12)19-16(17)20-14;1-2-3-5-18-12-9-4-6-22(7-10(9)19-14(16)21-12)13(23)11-8-24-15(17)20-11;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;1-4-5-7-17-13-11-6-8-20(14(21)10(2)3)9-12(11)18-15(16)19-13/h4-5,9H,2-3,6-8,10H2,1H3,(H3,17,18,19,20);11H,2-10H2,1H3,(H3,17,18,19,20);8H,2-7H2,1H3,(H2,17,20)(H3,16,18,19,21);8-9H,2-7H2,1H3,(H3,16,17,19,20);10H,4-9H2,1-3H3,(H3,16,17,18,19).

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

[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone has a molecular weight of 1606.13 g/mol, XLogP of 9.73, 25 rotatable bonds, 11 hydrogen bond donors, and 31 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]-(2-amino-1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclobutylmethanone;1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpropan-1-one;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,3-thiazol-4-yl)methanone;[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 157114904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).