N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide

C12H15Cl2N3O — CID 118031119

IUPACN-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide
SMILESCc1nc(Cl)c(NC(=O)C2CCCCC2)c(Cl)n1
InChIInChI=1S/C12H15Cl2N3O/c1-7-15-10(13)9(11(14)16-7)17-12(18)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,17,18)
InChIKeyLAVLRUWZIPWPPQ-UHFFFAOYSA-N
MW288.18 g/mol
LogP3.61
Rot. Bonds2

About N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide

N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide (PubChem CID 118031119) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide
PubChem CID118031119
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC NameN-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide
SMILESCc1nc(Cl)c(NC(=O)C2CCCCC2)c(Cl)n1
InChIInChI=1S/C12H15Cl2N3O/c1-7-15-10(13)9(11(14)16-7)17-12(18)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,17,18)
InChIKeyLAVLRUWZIPWPPQ-UHFFFAOYSA-N
XLogP3.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 53.61
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)cyclohexanecarboxamide?
The IUPAC name of N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide (CID 118031119) is N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide is Cc1nc(Cl)c(NC(=O)C2CCCCC2)c(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide?
The InChIKey is LAVLRUWZIPWPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c1-7-15-10(13)9(11(14)16-7)17-12(18)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,17,18).
What are the key properties of N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide?
N-(4,6-dichloro-2-methylpyrimidin-5-yl)cyclohexanecarboxamide has a molecular weight of 288.18 g/mol, XLogP of 3.61, 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)cyclohexanecarboxamide is sourced from PubChem (CID 118031119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).