4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one

C11H18N6O — CID 102887789

IUPAC4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
SMILESCNc1cc(N2CCCN(C)C(=O)C2)nc(N)n1
InChIInChI=1S/C11H18N6O/c1-13-8-6-9(15-11(12)14-8)17-5-3-4-16(2)10(18)7-17/h6H,3-5,7H2,1-2H3,(H3,12,13,14,15)
InChIKeyQRRHRWNLLGKGLQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.23
Rot. Bonds2

About 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one

4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102887789) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
PubChem CID102887789
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
SMILESCNc1cc(N2CCCN(C)C(=O)C2)nc(N)n1
InChIInChI=1S/C11H18N6O/c1-13-8-6-9(15-11(12)14-8)17-5-3-4-16(2)10(18)7-17/h6H,3-5,7H2,1-2H3,(H3,12,13,14,15)
InChIKeyQRRHRWNLLGKGLQ-UHFFFAOYSA-N
XLogP-0.23
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887852
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80915875
1-methyl-4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 102887824
2-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanol
CID 107226786
4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 106773361
4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine
CID 80765741
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102846599
4-(6-hydrazinylpyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102887981
4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887866
2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile
CID 102889041
1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 80756026

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one (CID 102887789) is 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one is CNc1cc(N2CCCN(C)C(=O)C2)nc(N)n1.
What is the InChIKey of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is QRRHRWNLLGKGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-13-8-6-9(15-11(12)14-8)17-5-3-4-16(2)10(18)7-17/h6H,3-5,7H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one?
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 250.31 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102887789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).