2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide

C19H25FN4O — CID 109328451

IUPAC2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(NCc2ccccc2F)n1
InChIInChI=1S/C19H25FN4O/c1-4-10-24(11-5-2)18(25)17-12-14(3)22-19(23-17)21-13-15-8-6-7-9-16(15)20/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,22,23)
InChIKeyZDLKEWFVOUBKTE-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.80
Rot. Bonds8

About 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide

2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109328451) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109328451
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(NCc2ccccc2F)n1
InChIInChI=1S/C19H25FN4O/c1-4-10-24(11-5-2)18(25)17-12-14(3)22-19(23-17)21-13-15-8-6-7-9-16(15)20/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,22,23)
InChIKeyZDLKEWFVOUBKTE-UHFFFAOYSA-N
XLogP3.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-chlorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109328844
6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109327813
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321011
N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114220233
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328470
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328519
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109328473
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328424
N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109322796
N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109328531
2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109368537
methyl 2-[[4-(dipropylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109334259

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide (CID 109328451) is 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(C)nc(NCc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is ZDLKEWFVOUBKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-4-10-24(11-5-2)18(25)17-12-14(3)22-19(23-17)21-13-15-8-6-7-9-16(15)20/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,21,22,23).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide?
2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-6-methyl-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).