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

C15H25N5O — CID 71696042

IUPAC1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
SMILESCCCCNc1nc(N)nc2c1CN(C(=O)C(C)C)CC2
InChIInChI=1S/C15H25N5O/c1-4-5-7-17-13-11-9-20(14(21)10(2)3)8-6-12(11)18-15(16)19-13/h10H,4-9H2,1-3H3,(H3,16,17,18,19)
InChIKeyFNZPFANPTFXTKY-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.81
Rot. Bonds5

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

1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one (PubChem CID 71696042) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
PubChem CID71696042
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
SMILESCCCCNc1nc(N)nc2c1CN(C(=O)C(C)C)CC2
InChIInChI=1S/C15H25N5O/c1-4-5-7-17-13-11-9-20(14(21)10(2)3)8-6-12(11)18-15(16)19-13/h10H,4-9H2,1-3H3,(H3,16,17,18,19)
InChIKeyFNZPFANPTFXTKY-UHFFFAOYSA-N
XLogP1.81
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one (CID 71696042) is 1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one is CCCCNc1nc(N)nc2c1CN(C(=O)C(C)C)CC2.
What is the InChIKey of 1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one?
The InChIKey is FNZPFANPTFXTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-5-7-17-13-11-9-20(14(21)10(2)3)8-6-12(11)18-15(16)19-13/h10H,4-9H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one?
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one has a molecular weight of 291.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one is sourced from PubChem (CID 71696042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).