5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine

C19H19ClN4 — CID 12004233

IUPAC5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(N(C)CCc2ccccc2)c1Cl
InChIInChI=1S/C19H19ClN4/c1-14-17(20)19(23-18(22-14)16-10-6-7-12-21-16)24(2)13-11-15-8-4-3-5-9-15/h3-10,12H,11,13H2,1-2H3
InChIKeyXSMBMYSEWPXVEN-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.18
Rot. Bonds5

About 5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine

5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 12004233) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID12004233
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(N(C)CCc2ccccc2)c1Cl
InChIInChI=1S/C19H19ClN4/c1-14-17(20)19(23-18(22-14)16-10-6-7-12-21-16)24(2)13-11-15-8-4-3-5-9-15/h3-10,12H,11,13H2,1-2H3
InChIKeyXSMBMYSEWPXVEN-UHFFFAOYSA-N
XLogP4.18
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine (CID 12004233) is 5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(N(C)CCc2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is XSMBMYSEWPXVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-14-17(20)19(23-18(22-14)16-10-6-7-12-21-16)24(2)13-11-15-8-4-3-5-9-15/h3-10,12H,11,13H2,1-2H3.
What are the key properties of 5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine?
5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 338.84 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,6-dimethyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 12004233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).