6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine

C14H14ClN3 — CID 62481332

IUPAC6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC2CC2c2ccccc2)n1
InChIInChI=1S/C14H14ClN3/c1-9-16-13(15)8-14(17-9)18-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H,16,17,18)
InChIKeyCWMYWVQDADOAJU-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.41
Rot. Bonds3

About 6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine

6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine (PubChem CID 62481332) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine
PubChem CID62481332
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NC2CC2c2ccccc2)n1
InChIInChI=1S/C14H14ClN3/c1-9-16-13(15)8-14(17-9)18-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H,16,17,18)
InChIKeyCWMYWVQDADOAJU-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine (CID 62481332) is 6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine is Cc1nc(Cl)cc(NC2CC2c2ccccc2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The InChIKey is CWMYWVQDADOAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-9-16-13(15)8-14(17-9)18-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine has a molecular weight of 259.74 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 62481332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).