6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine

C12H18ClN3 — CID 63831983

IUPAC6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1(C)CCCC1
InChIInChI=1S/C12H18ClN3/c1-9-10(13)15-8-16-11(9)14-7-12(2)5-3-4-6-12/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyMLOZJPRGKOKUJJ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.43
Rot. Bonds3

About 6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine

6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine (PubChem CID 63831983) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
PubChem CID63831983
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1(C)CCCC1
InChIInChI=1S/C12H18ClN3/c1-9-10(13)15-8-16-11(9)14-7-12(2)5-3-4-6-12/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyMLOZJPRGKOKUJJ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine (CID 63831983) is 6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine is Cc1c(Cl)ncnc1NCC1(C)CCCC1.
What is the InChIKey of 6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
The InChIKey is MLOZJPRGKOKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9-10(13)15-8-16-11(9)14-7-12(2)5-3-4-6-12/h8H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63831983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).