6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide

C19H16F2N4O — CID 109368359

IUPAC6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2)cc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H16F2N4O/c1-12-23-17(19(26)25-14-7-8-15(20)16(21)9-14)10-18(24-12)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyHUDCJCQSUZFRPF-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.93
Rot. Bonds5

About 6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide

6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368359) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109368359
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2)cc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H16F2N4O/c1-12-23-17(19(26)25-14-7-8-15(20)16(21)9-14)10-18(24-12)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyHUDCJCQSUZFRPF-UHFFFAOYSA-N
XLogP3.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371822
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332
6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368304
N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369606
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370106
N-(3,4-difluorophenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360567
N-(2,6-difluorophenyl)-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109371322
2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109303743
N-(3,5-dimethylphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369791
6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 109370132

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 109368359) is 6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(NCc2ccccc2)cc(C(=O)Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is HUDCJCQSUZFRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-12-23-17(19(26)25-14-7-8-15(20)16(21)9-14)10-18(24-12)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).