4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one

C13H19N5O — CID 80991689

IUPAC4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCc1c(N)nc(C2CC2)nc1N1CCCNC(=O)C1
InChIInChI=1S/C13H19N5O/c1-8-11(14)16-12(9-3-4-9)17-13(8)18-6-2-5-15-10(19)7-18/h9H,2-7H2,1H3,(H,15,19)(H2,14,16,17)
InChIKeyDSGGBXYHDOTDGP-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.57
Rot. Bonds2

About 4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one

4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one (PubChem CID 80991689) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
PubChem CID80991689
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
SMILESCc1c(N)nc(C2CC2)nc1N1CCCNC(=O)C1
InChIInChI=1S/C13H19N5O/c1-8-11(14)16-12(9-3-4-9)17-13(8)18-6-2-5-15-10(19)7-18/h9H,2-7H2,1H3,(H,15,19)(H2,14,16,17)
InChIKeyDSGGBXYHDOTDGP-UHFFFAOYSA-N
XLogP0.57
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80843367
2-cyclopropyl-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 102971605
2-cyclopropyl-6-(2,6-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80980602
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80986953
2-cyclopropyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80993174
4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 81006346
4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-1,4-diazepan-2-one
CID 65360969
4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione
CID 80856356
4-(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 48930568
4-(2-cyclopentyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-2-one
CID 59686274
[4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 81217737
6-methyl-2-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carbothioamide
CID 65363836

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one?
The IUPAC name of 4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one (CID 80991689) is 4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one is Cc1c(N)nc(C2CC2)nc1N1CCCNC(=O)C1.
What is the InChIKey of 4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one?
The InChIKey is DSGGBXYHDOTDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-11(14)16-12(9-3-4-9)17-13(8)18-6-2-5-15-10(19)7-18/h9H,2-7H2,1H3,(H,15,19)(H2,14,16,17).
What are the key properties of 4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one?
4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one has a molecular weight of 261.33 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-1,4-diazepan-2-one is sourced from PubChem (CID 80991689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).