2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine

C12H18ClN3 — CID 82460626

IUPAC2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC2CCCCC2)c1C
InChIInChI=1S/C12H18ClN3/c1-8-9(2)14-12(13)16-11(8)15-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyXWJUUXJWMRIPDP-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.49
Rot. Bonds2

About 2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine

2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 82460626) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
PubChem CID82460626
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)nc(NC2CCCCC2)c1C
InChIInChI=1S/C12H18ClN3/c1-8-9(2)14-12(13)16-11(8)15-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyXWJUUXJWMRIPDP-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2,5,6-trimethylpyrimidin-4-amine
CID 130906121
6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 63736474
6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970000
2-chloro-N-cyclohexyl-7-methylquinazolin-4-amine
CID 134109451
2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 82460740
2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine
CID 71738408
3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine
CID 81035319
2-chloro-N,5,6-trimethylpyrimidin-4-amine
CID 82460587
2-chloro-N-cycloheptyl-7-methylpurin-6-amine
CID 82460223
2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine
CID 114043589
4-N-cyclopentyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769676
N-cycloheptyl-3,6-dimethylpyrazin-2-amine
CID 60631763

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine (CID 82460626) is 2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine is Cc1nc(Cl)nc(NC2CCCCC2)c1C.
What is the InChIKey of 2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is XWJUUXJWMRIPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8-9(2)14-12(13)16-11(8)15-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine?
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 82460626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).