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

C14H22ClN3 — CID 63728972

IUPAC6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine
SMILESCCC1CCC(Nc2nc(C)nc(Cl)c2C)CC1
InChIInChI=1S/C14H22ClN3/c1-4-11-5-7-12(8-6-11)18-14-9(2)13(15)16-10(3)17-14/h11-12H,4-8H2,1-3H3,(H,16,17,18)
InChIKeySKVDLCGGSYHVCK-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.13
Rot. Bonds3

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

6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 63728972) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID63728972
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine
SMILESCCC1CCC(Nc2nc(C)nc(Cl)c2C)CC1
InChIInChI=1S/C14H22ClN3/c1-4-11-5-7-12(8-6-11)18-14-9(2)13(15)16-10(3)17-14/h11-12H,4-8H2,1-3H3,(H,16,17,18)
InChIKeySKVDLCGGSYHVCK-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972193
4-chloro-6-[(4-ethylcyclohexyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80732235
6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 63736474
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 63728973
N-(4-ethylcyclohexyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 147245177
3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine
CID 102750636
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615
6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine
CID 10214558
N-(4-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63539648
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine
CID 63729418
6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine
CID 64920876

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine (CID 63728972) is 6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine is CCC1CCC(Nc2nc(C)nc(Cl)c2C)CC1.
What is the InChIKey of 6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is SKVDLCGGSYHVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-4-11-5-7-12(8-6-11)18-14-9(2)13(15)16-10(3)17-14/h11-12H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63728972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).