N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide

C22H23FN4O — CID 109348287

IUPACN-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C22H23FN4O/c1-16(2)27(14-18-6-4-3-5-7-18)22(28)20-12-21(26-15-25-20)24-13-17-8-10-19(23)11-9-17/h3-12,15-16H,13-14H2,1-2H3,(H,24,25,26)
InChIKeyPWLWALISWXBDQH-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.28
Rot. Bonds7

About N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide

N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109348287) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109348287
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C22H23FN4O/c1-16(2)27(14-18-6-4-3-5-7-18)22(28)20-12-21(26-15-25-20)24-13-17-8-10-19(23)11-9-17/h3-12,15-16H,13-14H2,1-2H3,(H,24,25,26)
InChIKeyPWLWALISWXBDQH-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348042
N-benzyl-6-[2-(4-fluorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109347893
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347263
N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
CID 109169536
N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109347788
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
N-(2-tert-butylphenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348315
4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859705
N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125125
6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348267
N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109347313
N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109170485

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide (CID 109348287) is N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cc(NCc2ccc(F)cc2)ncn1.
What is the InChIKey of N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is PWLWALISWXBDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-16(2)27(14-18-6-4-3-5-7-18)22(28)20-12-21(26-15-25-20)24-13-17-8-10-19(23)11-9-17/h3-12,15-16H,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109348287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).