6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine

C14H22ClN3 — CID 55229293

IUPAC6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CCCC(C)C2C)n1
InChIInChI=1S/C14H22ClN3/c1-8-6-5-7-12(9(8)2)18-14-10(3)13(15)16-11(4)17-14/h8-9,12H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyFSAZIEVKZBWZJC-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.98
Rot. Bonds2

About 6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 55229293) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID55229293
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CCCC(C)C2C)n1
InChIInChI=1S/C14H22ClN3/c1-8-6-5-7-12(9(8)2)18-14-10(3)13(15)16-11(4)17-14/h8-9,12H,5-7H2,1-4H3,(H,16,17,18)
InChIKeyFSAZIEVKZBWZJC-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine (CID 55229293) is 6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC2CCCC(C)C2C)n1.
What is the InChIKey of 6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is FSAZIEVKZBWZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-8-6-5-7-12(9(8)2)18-14-10(3)13(15)16-11(4)17-14/h8-9,12H,5-7H2,1-4H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55229293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).