4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one

C10H15N5O — CID 80843367

IUPAC4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCc1cnc(N)nc1N1CCCNC(=O)C1
InChIInChI=1S/C10H15N5O/c1-7-5-13-10(11)14-9(7)15-4-2-3-12-8(16)6-15/h5H,2-4,6H2,1H3,(H,12,16)(H2,11,13,14)
InChIKeyCVHHFFILZWKHMA-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.31
Rot. Bonds1

About 4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one

4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one (PubChem CID 80843367) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
PubChem CID80843367
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCc1cnc(N)nc1N1CCCNC(=O)C1
InChIInChI=1S/C10H15N5O/c1-7-5-13-10(11)14-9(7)15-4-2-3-12-8(16)6-15/h5H,2-4,6H2,1H3,(H,12,16)(H2,11,13,14)
InChIKeyCVHHFFILZWKHMA-UHFFFAOYSA-N
XLogP-0.31
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminopyrimidin-4-yl)-1,4-diazepan-2-one
CID 80842304
4-(2-amino-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80844331
4-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 80635888
4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80991689
6-methyl-2-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carbothioamide
CID 65363836
4-(2-ethyl-1,4-oxazepan-4-yl)-5-methylpyrimidin-2-amine
CID 114218859
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-2-one
CID 80842578
4-(6-amino-2-pyridinyl)-1,4-diazepan-2-one
CID 80651918
4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-1,4-diazepan-2-one
CID 65360969
4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-1,4-diazepan-2-one
CID 66026380
4-[5-(1-aminoethyl)-1,3-thiazol-2-yl]-1,4-diazepan-2-one
CID 65366601
5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine
CID 80798047

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one (CID 80843367) is 4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one is Cc1cnc(N)nc1N1CCCNC(=O)C1.
What is the InChIKey of 4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one?
The InChIKey is CVHHFFILZWKHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7-5-13-10(11)14-9(7)15-4-2-3-12-8(16)6-15/h5H,2-4,6H2,1H3,(H,12,16)(H2,11,13,14).
What are the key properties of 4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one?
4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one has a molecular weight of 221.26 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 80843367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).