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

C16H22N6O2 — CID 71696038

IUPAC[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCCCNc1nc(N)nc2c1CN(C(=O)c1cc(C)on1)CC2
InChIInChI=1S/C16H22N6O2/c1-3-4-6-18-14-11-9-22(7-5-12(11)19-16(17)20-14)15(23)13-8-10(2)24-21-13/h8H,3-7,9H2,1-2H3,(H3,17,18,19,20)
InChIKeyRWGHYTGLOHEBNT-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.77
Rot. Bonds5

About [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)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 71696038) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID71696038
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCCCNc1nc(N)nc2c1CN(C(=O)c1cc(C)on1)CC2
InChIInChI=1S/C16H22N6O2/c1-3-4-6-18-14-11-9-22(7-5-12(11)19-16(17)20-14)15(23)13-8-10(2)24-21-13/h8H,3-7,9H2,1-2H3,(H3,17,18,19,20)
InChIKeyRWGHYTGLOHEBNT-UHFFFAOYSA-N
XLogP1.77
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 71696038) is [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is CCCCNc1nc(N)nc2c1CN(C(=O)c1cc(C)on1)CC2.
What is the InChIKey of [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is RWGHYTGLOHEBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-4-6-18-14-11-9-22(7-5-12(11)19-16(17)20-14)15(23)13-8-10(2)24-21-13/h8H,3-7,9H2,1-2H3,(H3,17,18,19,20).
What are the key properties of [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)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 71696038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).