4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one

C10H16N6O — CID 102887852

IUPAC4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2cc(N)nc(N)n2)CC1=O
InChIInChI=1S/C10H16N6O/c1-15-3-2-4-16(6-9(15)17)8-5-7(11)13-10(12)14-8/h5H,2-4,6H2,1H3,(H4,11,12,13,14)
InChIKeyQXBKKJMJYBEMJE-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.69
Rot. Bonds1

About 4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one

4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102887852) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID102887852
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2cc(N)nc(N)n2)CC1=O
InChIInChI=1S/C10H16N6O/c1-15-3-2-4-16(6-9(15)17)8-5-7(11)13-10(12)14-8/h5H,2-4,6H2,1H3,(H4,11,12,13,14)
InChIKeyQXBKKJMJYBEMJE-UHFFFAOYSA-N
XLogP-0.69
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887789
4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 106773361
4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102846599
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80915875
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one
CID 102887615
4-(6-bromo-2-tert-butylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102891514
2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile
CID 102889041
1-methyl-4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,4-diazepan-2-one
CID 136865956
4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 103330831
1-methyl-4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 102887824
4-(4-amino-6-chloro-2-pyridinyl)-1-methylpiperazin-2-one
CID 104924420

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one (CID 102887852) is 4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(c2cc(N)nc(N)n2)CC1=O.
What is the InChIKey of 4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is QXBKKJMJYBEMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-15-3-2-4-16(6-9(15)17)8-5-7(11)13-10(12)14-8/h5H,2-4,6H2,1H3,(H4,11,12,13,14).
What are the key properties of 4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 236.28 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102887852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).