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

C15H16ClN3 — CID 63729331

IUPAC6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CC2c2ccccc2)n1
InChIInChI=1S/C15H16ClN3/c1-9-14(16)17-10(2)18-15(9)19-13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3,(H,17,18,19)
InChIKeyFTETUSZNHWBKBK-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.71
Rot. Bonds3

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

6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine (PubChem CID 63729331) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine
PubChem CID63729331
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CC2c2ccccc2)n1
InChIInChI=1S/C15H16ClN3/c1-9-14(16)17-10(2)18-15(9)19-13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3,(H,17,18,19)
InChIKeyFTETUSZNHWBKBK-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.71
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-(2-phenylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine (CID 63729331) is 6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC2CC2c2ccccc2)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The InChIKey is FTETUSZNHWBKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-9-14(16)17-10(2)18-15(9)19-13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 3.71, 3 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-(2-phenylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 63729331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).