6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine

C14H22ClN3 — CID 55229302

IUPAC6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)CC2CCCCC2)n1
InChIInChI=1S/C14H22ClN3/c1-10-13(15)16-11(2)17-14(10)18(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3
InChIKeyLMGYUPOCGARTBV-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.76
Rot. Bonds3

About 6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine

6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 55229302) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID55229302
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)CC2CCCCC2)n1
InChIInChI=1S/C14H22ClN3/c1-10-13(15)16-11(2)17-14(10)18(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3
InChIKeyLMGYUPOCGARTBV-UHFFFAOYSA-N
XLogP3.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine
CID 80970589
4-Chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 80971319
4-Chloro-6-(3-ethyl-5-methylpiperidin-1-yl)-5-fluoropyrimidine
CID 88958478
6-Chloro-5-(diethylaminomethyl)-2-methylpyrimidin-4-amine
CID 134987080
4-Chloro-2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 65530047
4-Chloro-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 65532369
4-Chloro-2-ethyl-5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 79556003
4-Chloro-2-ethyl-5-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 79557230
4,6-Dichloro-2-cyclohexyl-5-fluoropyrimidine
CID 80550143
4,6-Dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine
CID 80550208
4,6-Dichloro-2-(3-ethylcyclohexyl)-5-fluoropyrimidine
CID 80550231
4,6-Dichloro-2-(4-ethylcyclohexyl)-5-fluoropyrimidine
CID 80550323

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine (CID 55229302) is 6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(N(C)CC2CCCCC2)n1.
What is the InChIKey of 6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is LMGYUPOCGARTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-10-13(15)16-11(2)17-14(10)18(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3.
What are the key properties of 6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine?
6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclohexylmethyl)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 55229302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).