2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide

C18H17FN4OS — CID 20959937

IUPAC2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(NCc2ccccc2F)ncc1C(=O)NCc1cccs1
InChIInChI=1S/C18H17FN4OS/c1-12-15(17(24)20-10-14-6-4-8-25-14)11-22-18(23-12)21-9-13-5-2-3-7-16(13)19/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyHRHCSXIKJGXOBL-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.53
Rot. Bonds6

About 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide

2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 20959937) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID20959937
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(NCc2ccccc2F)ncc1C(=O)NCc1cccs1
InChIInChI=1S/C18H17FN4OS/c1-12-15(17(24)20-10-14-6-4-8-25-14)11-22-18(23-12)21-9-13-5-2-3-7-16(13)19/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyHRHCSXIKJGXOBL-UHFFFAOYSA-N
XLogP3.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide (CID 20959937) is 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide is Cc1nc(NCc2ccccc2F)ncc1C(=O)NCc1cccs1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is HRHCSXIKJGXOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-12-15(17(24)20-10-14-6-4-8-25-14)11-22-18(23-12)21-9-13-5-2-3-7-16(13)19/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide?
2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 20959937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).