N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide

C20H19FN4O — CID 109348061

IUPACN-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(NCc3ccccc3F)ncn2)c1
InChIInChI=1S/C20H19FN4O/c1-13-7-14(2)9-16(8-13)25-20(26)18-10-19(24-12-23-18)22-11-15-5-3-4-6-17(15)21/h3-10,12H,11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyKNYNCLSRXCGDIP-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.10
Rot. Bonds5

About N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109348061) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109348061
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(NCc3ccccc3F)ncn2)c1
InChIInChI=1S/C20H19FN4O/c1-13-7-14(2)9-16(8-13)25-20(26)18-10-19(24-12-23-18)22-11-15-5-3-4-6-17(15)21/h3-10,12H,11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyKNYNCLSRXCGDIP-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348081
ethyl 4-[[6-[(2-fluorophenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109348113
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348071
N-(3-methylphenyl)-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346825
N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351185
6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347632
6-[(2-chlorophenyl)methylamino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109348579
6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109348543
6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339637
6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348017
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide (CID 109348061) is N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(NCc3ccccc3F)ncn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is KNYNCLSRXCGDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-7-14(2)9-16(8-13)25-20(26)18-10-19(24-12-23-18)22-11-15-5-3-4-6-17(15)21/h3-10,12H,11H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).