5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine

C11H16ClN3 — CID 105369162

IUPAC5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCCC(Nc2ncncc2Cl)C1
InChIInChI=1S/C11H16ClN3/c1-8-3-2-4-9(5-8)15-11-10(12)6-13-7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15)
InChIKeyHFSRPCYVJKJXDC-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.12
Rot. Bonds2

About 5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine

5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 105369162) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
PubChem CID105369162
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCCC(Nc2ncncc2Cl)C1
InChIInChI=1S/C11H16ClN3/c1-8-3-2-4-9(5-8)15-11-10(12)6-13-7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15)
InChIKeyHFSRPCYVJKJXDC-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 105369616
5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65417799
5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine
CID 106996173
2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine
CID 122417179
5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
CID 105369623
5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
CID 105369492
5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369904
5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine
CID 126987815
2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 105369367
6-hydrazinyl-5-methyl-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 80894250
5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 130804866
N-[2-(aminomethyl)cyclopentyl]-5-chloropyrimidin-4-amine
CID 105370016

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine (CID 105369162) is 5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine is CC1CCCC(Nc2ncncc2Cl)C1.
What is the InChIKey of 5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is HFSRPCYVJKJXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-3-2-4-9(5-8)15-11-10(12)6-13-7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine?
5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 105369162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).