4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one

C12H18N8O2 — CID 169130893

IUPAC4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one
SMILESCC(CNc1c(N)nc[nH]c1=O)CNc1c(N)nc[nH]c1=O
InChIInChI=1S/C12H18N8O2/c1-6(2-15-7-9(13)17-4-19-11(7)21)3-16-8-10(14)18-5-20-12(8)22/h4-6,15-16H,2-3H2,1H3,(H3,13,17,19,21)(H3,14,18,20,22)
InChIKeyQFCNQUWDCOZAMQ-UHFFFAOYSA-N
MW306.33 g/mol
LogP-0.82
Rot. Bonds6

About 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one

4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one (PubChem CID 169130893) has the molecular formula C12H18N8O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one
PubChem CID169130893
Molecular FormulaC12H18N8O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one
SMILESCC(CNc1c(N)nc[nH]c1=O)CNc1c(N)nc[nH]c1=O
InChIInChI=1S/C12H18N8O2/c1-6(2-15-7-9(13)17-4-19-11(7)21)3-16-8-10(14)18-5-20-12(8)22/h4-6,15-16H,2-3H2,1H3,(H3,13,17,19,21)(H3,14,18,20,22)
InChIKeyQFCNQUWDCOZAMQ-UHFFFAOYSA-N
XLogP-0.82
TPSA167.60 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-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 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one (CID 169130893) is 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one is CC(CNc1c(N)nc[nH]c1=O)CNc1c(N)nc[nH]c1=O.
What is the InChIKey of 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one?
The InChIKey is QFCNQUWDCOZAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O2/c1-6(2-15-7-9(13)17-4-19-11(7)21)3-16-8-10(14)18-5-20-12(8)22/h4-6,15-16H,2-3H2,1H3,(H3,13,17,19,21)(H3,14,18,20,22).
What are the key properties of 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one?
4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one has a molecular weight of 306.33 g/mol, XLogP of -0.82, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 169130893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).