4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one

C11H17N5O2 — CID 102888328

IUPAC4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
SMILESCOc1ncnc(N2CCCN(C)C(=O)C2)c1N
InChIInChI=1S/C11H17N5O2/c1-15-4-3-5-16(6-8(15)17)10-9(12)11(18-2)14-7-13-10/h7H,3-6,12H2,1-2H3
InChIKeyZGJVUKZHFPYAFM-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.26
Rot. Bonds2

About 4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one

4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102888328) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID102888328
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
SMILESCOc1ncnc(N2CCCN(C)C(=O)C2)c1N
InChIInChI=1S/C11H17N5O2/c1-15-4-3-5-16(6-8(15)17)10-9(12)11(18-2)14-7-13-10/h7H,3-6,12H2,1-2H3
InChIKeyZGJVUKZHFPYAFM-UHFFFAOYSA-N
XLogP-0.26
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-amino-5-chloropyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 100652961
4-(6-amino-5-nitropyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887830
4-(6-chloro-5-methylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102891462
4-[5-bromo-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 114072849
1-(5-amino-6-methoxypyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81097827
5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 103469314
1-methyl-4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-1,4-diazepan-2-one
CID 102887875
4-methoxy-6-(3-methoxypyrrolidin-1-yl)pyrimidin-5-amine
CID 103530461
4-[6-(ethylamino)-5-propylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887860
4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103384693
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

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one (CID 102888328) is 4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one is COc1ncnc(N2CCCN(C)C(=O)C2)c1N.
What is the InChIKey of 4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is ZGJVUKZHFPYAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-15-4-3-5-16(6-8(15)17)10-9(12)11(18-2)14-7-13-10/h7H,3-6,12H2,1-2H3.
What are the key properties of 4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one?
4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).