5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine

C12H18ClN3 — CID 105369322

IUPAC5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCC1CCCCC1CNc1ncncc1Cl
InChIInChI=1S/C12H18ClN3/c1-9-4-2-3-5-10(9)6-15-12-11(13)7-14-8-16-12/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyKBOPFUDIZYPHCW-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.37
Rot. Bonds3

About 5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine

5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine (PubChem CID 105369322) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
PubChem CID105369322
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCC1CCCCC1CNc1ncncc1Cl
InChIInChI=1S/C12H18ClN3/c1-9-4-2-3-5-10(9)6-15-12-11(13)7-14-8-16-12/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyKBOPFUDIZYPHCW-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 107416529
3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 63541675
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
5-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
CID 102975885
5-chloro-N-[(4-chlorocyclohexyl)methyl]pyrimidin-4-amine
CID 106126003
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815368
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
N'-(5-chloropyrimidin-4-yl)-N-cycloheptylethane-1,2-diamine
CID 105370083
3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
6-hydrazinyl-5-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421319
N-[2-(aminomethyl)cyclopentyl]-5-chloropyrimidin-4-amine
CID 105370016

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine (CID 105369322) is 5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine is CC1CCCCC1CNc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
The InChIKey is KBOPFUDIZYPHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9-4-2-3-5-10(9)6-15-12-11(13)7-14-8-16-12/h7-10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine?
5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 105369322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).