5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine

C13H20ClN3O — CID 80758365

IUPAC5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NC2CCCCCC2C)n1
InChIInChI=1S/C13H20ClN3O/c1-9-6-4-3-5-7-11(9)16-12-10(14)8-15-13(17-12)18-2/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyLNTBTEOCDSOJGN-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.52
Rot. Bonds3

About 5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine

5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine (PubChem CID 80758365) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine
PubChem CID80758365
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NC2CCCCCC2C)n1
InChIInChI=1S/C13H20ClN3O/c1-9-6-4-3-5-7-11(9)16-12-10(14)8-15-13(17-12)18-2/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyLNTBTEOCDSOJGN-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80847184
5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine
CID 103804863
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
5-chloro-N-(2-cyclopropyloxolan-3-yl)-2-methoxypyrimidin-4-amine
CID 103864060
N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine
CID 107173705
5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine
CID 115733683
5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 80757851
5-bromo-2-chloro-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 79074019
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214598
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80777437
3,5-dichloro-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281875

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine (CID 80758365) is 5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine is COc1ncc(Cl)c(NC2CCCCCC2C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine?
The InChIKey is LNTBTEOCDSOJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-6-4-3-5-7-11(9)16-12-10(14)8-15-13(17-12)18-2/h8-9,11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine?
5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine is sourced from PubChem (CID 80758365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).