2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine

C13H20ClN3 — CID 62477966

IUPAC2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCCCCC2)nc(Cl)n1
InChIInChI=1S/C13H20ClN3/c1-10-9-12(17-13(14)15-10)16-11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H,15,16,17)
InChIKeyCKMXIBJRQGECTF-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.96
Rot. Bonds2

About 2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine

2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine (PubChem CID 62477966) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
PubChem CID62477966
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCCCCC2)nc(Cl)n1
InChIInChI=1S/C13H20ClN3/c1-10-9-12(17-13(14)15-10)16-11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H,15,16,17)
InChIKeyCKMXIBJRQGECTF-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 53346646
2-chloro-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 59210366
2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine
CID 62483644
trans-(1S,2S)-2-N-(2-chloro-6-methylpyrimidin-4-yl)cyclohexane-1,2-diamine
CID 97162846
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529
2-chloro-N-cyclopentyl-6-ethylpyrimidin-4-amine
CID 82460547
2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 62481987
2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910433
2-chloro-6-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 62483436
4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112910660

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine (CID 62477966) is 2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine is Cc1cc(NC2CCCCCCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine?
The InChIKey is CKMXIBJRQGECTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-10-9-12(17-13(14)15-10)16-11-7-5-3-2-4-6-8-11/h9,11H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine?
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62477966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).