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

C15H22N4O3 — CID 136988450

IUPACN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)CN2CCCCCC2=O)n1
InChIInChI=1S/C15H22N4O3/c1-11-9-13(20)18-12(17-11)6-7-16-14(21)10-19-8-4-2-3-5-15(19)22/h9H,2-8,10H2,1H3,(H,16,21)(H,17,18,20)
InChIKeyJDMQRBSKYXQCIV-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.14
Rot. Bonds5

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

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 136988450) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID136988450
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)CN2CCCCCC2=O)n1
InChIInChI=1S/C15H22N4O3/c1-11-9-13(20)18-12(17-11)6-7-16-14(21)10-19-8-4-2-3-5-15(19)22/h9H,2-8,10H2,1H3,(H,16,21)(H,17,18,20)
InChIKeyJDMQRBSKYXQCIV-UHFFFAOYSA-N
XLogP0.14
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-azepan-1-yl-N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]acetamide
CID 136145919
(3S)-3-ethyl-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1,4-diazepan-2-one
CID 136585933
N~1~-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-norvalinamide
CID 136664961
N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]cyclobutanecarboxamide
CID 97382295
2-Cyclopropyl-N-((4-Oxo-4,6,7,8,9,10-Hexahydropyrimido[1,2-A][1,4]Diazepin-2-Yl)Methyl)Acetamide
CID 97467780
2-[[(2-Cyclopropylacetyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
CID 97467782
3-(methylamino)-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide;hydrochloride
CID 68640946
2-[[3-(2-Oxoazepan-1-yl)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 53498756
3-[2-(1,4-Diazepan-1-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 63769196
3-(methylamino)-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
CID 68640947
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)azepan-2-one
CID 114581909
2-methyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]propanamide
CID 124231804

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide (CID 136988450) is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide is Cc1cc(=O)[nH]c(CCNC(=O)CN2CCCCCC2=O)n1.
What is the InChIKey of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is JDMQRBSKYXQCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-9-13(20)18-12(17-11)6-7-16-14(21)10-19-8-4-2-3-5-15(19)22/h9H,2-8,10H2,1H3,(H,16,21)(H,17,18,20).
What are the key properties of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 136988450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).