5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide

C18H21ClN4O — CID 166292584

IUPAC5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1nc(-c2ccccc2)ncc1Cl
InChIInChI=1S/C18H21ClN4O/c1-22(11-12-23-9-5-6-10-23)18(24)16-15(19)13-20-17(21-16)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeyFEYVXARHBATSOL-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.96
Rot. Bonds5

About 5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide

5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide (PubChem CID 166292584) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide
PubChem CID166292584
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1nc(-c2ccccc2)ncc1Cl
InChIInChI=1S/C18H21ClN4O/c1-22(11-12-23-9-5-6-10-23)18(24)16-15(19)13-20-17(21-16)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKeyFEYVXARHBATSOL-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide (CID 166292584) is 5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide is CN(CCN1CCCC1)C(=O)c1nc(-c2ccccc2)ncc1Cl.
What is the InChIKey of 5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is FEYVXARHBATSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-22(11-12-23-9-5-6-10-23)18(24)16-15(19)13-20-17(21-16)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3.
What are the key properties of 5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide?
5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 166292584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).