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

C15H23N3O3 — CID 64929112

IUPAC2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC1CCCCC1O
InChIInChI=1S/C15H23N3O3/c1-9-12(10(2)18-15(21)17-9)7-14(20)16-8-11-5-3-4-6-13(11)19/h11,13,19H,3-8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyDNEPKLNPNWYWTN-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.60
Rot. Bonds4

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

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide (PubChem CID 64929112) 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-[(2-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
PubChem CID64929112
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC1CCCCC1O
InChIInChI=1S/C15H23N3O3/c1-9-12(10(2)18-15(21)17-9)7-14(20)16-8-11-5-3-4-6-13(11)19/h11,13,19H,3-8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyDNEPKLNPNWYWTN-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide (CID 64929112) is 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide is Cc1nc(=O)[nH]c(C)c1CC(=O)NCC1CCCCC1O.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is DNEPKLNPNWYWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-12(10(2)18-15(21)17-9)7-14(20)16-8-11-5-3-4-6-13(11)19/h11,13,19H,3-8H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.60, 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-[(2-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 64929112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).