2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

C15H25N5O2 — CID 137108540

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)CN2CCCN(C)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-12-10-14(21)18-13(17-12)4-5-16-15(22)11-20-7-3-6-19(2)8-9-20/h10H,3-9,11H2,1-2H3,(H,16,22)(H,17,18,21)
InChIKeyHUOGVCZKZGDCAE-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.63
Rot. Bonds5

About 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (PubChem CID 137108540) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
PubChem CID137108540
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)CN2CCCN(C)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-12-10-14(21)18-13(17-12)4-5-16-15(22)11-20-7-3-6-19(2)8-9-20/h10H,3-9,11H2,1-2H3,(H,16,22)(H,17,18,21)
InChIKeyHUOGVCZKZGDCAE-UHFFFAOYSA-N
XLogP-0.63
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]pyrrolidine-1-carboxamide
CID 97467751
2-methoxy-N-[(9-methyl-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide
CID 97467765
2-azepan-1-yl-N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]acetamide
CID 136145919
N-(1-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)acetamide
CID 136245430
(3S)-3-ethyl-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1,4-diazepan-2-one
CID 136585933
N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
4-methyl-2-[1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethyl]-1H-pyrimidin-6-one
CID 137028887
4-methyl-2-[(1R)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethyl]-1H-pyrimidin-6-one
CID 137060911
4-methyl-2-[(1S)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethyl]-1H-pyrimidin-6-one
CID 137060912
N-((4-Oxo-4,6,7,8,9,10-hexahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl)cyclopropanecarboxamide
CID 97382294
2-(pyrrolidin-1-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-4-one
CID 97390406
N,N-dimethyl-2-[4-oxo-2-(pyrrolidin-1-ylmethyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-9-yl]acetamide
CID 97390407

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (CID 137108540) is 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is Cc1cc(=O)[nH]c(CCNC(=O)CN2CCCN(C)CC2)n1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The InChIKey is HUOGVCZKZGDCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12-10-14(21)18-13(17-12)4-5-16-15(22)11-20-7-3-6-19(2)8-9-20/h10H,3-9,11H2,1-2H3,(H,16,22)(H,17,18,21).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide has a molecular weight of 307.40 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 137108540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).