2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide

C15H16F2N4O — CID 131895381

IUPAC2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cc(F)ccc2F)nc(N)n1
InChIInChI=1S/C15H16F2N4O/c1-8(2)12-6-13(21-15(18)20-12)14(22)19-7-9-5-10(16)3-4-11(9)17/h3-6,8H,7H2,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyYFBKBWSLLSAAAL-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide

2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 131895381) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID131895381
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2cc(F)ccc2F)nc(N)n1
InChIInChI=1S/C15H16F2N4O/c1-8(2)12-6-13(21-15(18)20-12)14(22)19-7-9-5-10(16)3-4-11(9)17/h3-6,8H,7H2,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyYFBKBWSLLSAAAL-UHFFFAOYSA-N
XLogP2.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-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

6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 103875325
N-[(2,5-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323609
4-amino-N-[(2,5-difluorophenyl)methyl]-2-methylbutanamide
CID 80545149
2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
CID 63794966
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63372919
4-amino-N-[(2,5-difluorophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 55236272
2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide
CID 63373106
2-amino-6-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-4-carboxamide
CID 163310649
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide
CID 107375724

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide (CID 131895381) is 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1cc(C(=O)NCc2cc(F)ccc2F)nc(N)n1.
What is the InChIKey of 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is YFBKBWSLLSAAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-8(2)12-6-13(21-15(18)20-12)14(22)19-7-9-5-10(16)3-4-11(9)17/h3-6,8H,7H2,1-2H3,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide?
2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 131895381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).