2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide

C15H23N3O3 — CID 65113658

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)18-14(20)17-10)8-13(19)16-9-15(21)6-4-3-5-7-15/h21H,3-9H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyBBPSOTPDAGSABB-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.74
Rot. Bonds4

About 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 65113658) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID65113658
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)18-14(20)17-10)8-13(19)16-9-15(21)6-4-3-5-7-15/h21H,3-9H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyBBPSOTPDAGSABB-UHFFFAOYSA-N
XLogP0.74
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106102844
N-[(1-hydroxycyclohexyl)methyl]-2-(2,4,6-trimethyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 111485778
N-(2,2-difluoro-3-hydroxypropyl)-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 106167923
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 136935048
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108393
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130743
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methoxybutanoic acid
CID 103153142
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43355414
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 106154787
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66181059
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148227
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 9404923

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 65113658) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NCC1(O)CCCCC1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is BBPSOTPDAGSABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-12(11(2)18-14(20)17-10)8-13(19)16-9-15(21)6-4-3-5-7-15/h21H,3-9H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 65113658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).