N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide

C14H19Cl2N3O — CID 118023919

IUPACN-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide
SMILESCc1nc(Cl)c(NC(=O)C2CCC(C)(C)CC2)c(Cl)n1
InChIInChI=1S/C14H19Cl2N3O/c1-8-17-11(15)10(12(16)18-8)19-13(20)9-4-6-14(2,3)7-5-9/h9H,4-7H2,1-3H3,(H,19,20)
InChIKeyYRFPJQMRLAPHDH-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.25
Rot. Bonds2

About N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide

N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide (PubChem CID 118023919) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide
PubChem CID118023919
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC NameN-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide
SMILESCc1nc(Cl)c(NC(=O)C2CCC(C)(C)CC2)c(Cl)n1
InChIInChI=1S/C14H19Cl2N3O/c1-8-17-11(15)10(12(16)18-8)19-13(20)9-4-6-14(2,3)7-5-9/h9H,4-7H2,1-3H3,(H,19,20)
InChIKeyYRFPJQMRLAPHDH-UHFFFAOYSA-N
XLogP4.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide (CID 118023919) is N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide is Cc1nc(Cl)c(NC(=O)C2CCC(C)(C)CC2)c(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is YRFPJQMRLAPHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-8-17-11(15)10(12(16)18-8)19-13(20)9-4-6-14(2,3)7-5-9/h9H,4-7H2,1-3H3,(H,19,20).
What are the key properties of N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide?
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-methylpyrimidin-5-yl)-4,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 118023919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).