6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine

C12H18ClN3 — CID 64686877

IUPAC6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2(C)CCCC2)n1
InChIInChI=1S/C12H18ClN3/c1-8-10(13)14-9(2)15-11(8)16-12(3)6-4-5-7-12/h4-7H2,1-3H3,(H,14,15,16)
InChIKeyGHIBUCRZWYJMGC-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.49
Rot. Bonds2

About 6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine

6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine (PubChem CID 64686877) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
PubChem CID64686877
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2(C)CCCC2)n1
InChIInChI=1S/C12H18ClN3/c1-8-10(13)14-9(2)15-11(8)16-12(3)6-4-5-7-12/h4-7H2,1-3H3,(H,14,15,16)
InChIKeyGHIBUCRZWYJMGC-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine (CID 64686877) is 6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC2(C)CCCC2)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine?
The InChIKey is GHIBUCRZWYJMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8-10(13)14-9(2)15-11(8)16-12(3)6-4-5-7-12/h4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine is sourced from PubChem (CID 64686877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).