2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide

C18H19Cl2N3O3 — CID 70728089

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C18H19Cl2N3O3/c19-14-2-1-3-15(20)12(14)8-16-21-9-13(18(26)23-16)17(25)22-10-4-6-11(24)7-5-10/h1-3,9-11,24H,4-8H2,(H,22,25)(H,21,23,26)
InChIKeyCMTOPKHLYGLOOU-UHFFFAOYSA-N
MW396.27 g/mol
LogP2.70
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide

2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70728089) has the molecular formula C18H19Cl2N3O3 and a molecular weight of 396.27 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70728089
Molecular FormulaC18H19Cl2N3O3
Molecular Weight396.27 g/mol
Exact Mass395.08
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C18H19Cl2N3O3/c19-14-2-1-3-15(20)12(14)8-16-21-9-13(18(26)23-16)17(25)22-10-4-6-11(24)7-5-10/h1-3,9-11,24H,4-8H2,(H,22,25)(H,21,23,26)
InChIKeyCMTOPKHLYGLOOU-UHFFFAOYSA-N
XLogP2.70
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70728089) is 2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC1CCC(O)CC1)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CMTOPKHLYGLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3/c19-14-2-1-3-15(20)12(14)8-16-21-9-13(18(26)23-16)17(25)22-10-4-6-11(24)7-5-10/h1-3,9-11,24H,4-8H2,(H,22,25)(H,21,23,26).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 396.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-(4-hydroxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70728089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).