6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

C22H23FN4O — CID 109369598

IUPAC6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2F)cc(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C22H23FN4O/c1-14(2)16-8-10-18(11-9-16)27-22(28)20-12-21(26-15(3)25-20)24-13-17-6-4-5-7-19(17)23/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyJJBSVUWBSHTTNG-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.91
Rot. Bonds6

About 6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109369598) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109369598
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2F)cc(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C22H23FN4O/c1-14(2)16-8-10-18(11-9-16)27-22(28)20-12-21(26-15(3)25-20)24-13-17-6-4-5-7-19(17)23/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyJJBSVUWBSHTTNG-UHFFFAOYSA-N
XLogP4.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369606
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109371777
2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371012
N-(2,3-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369592
2-N-[(2-fluorophenyl)methyl]-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109097776
N-benzyl-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109368366
N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371822
N-(4-ethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371808
N-(3-chloro-4-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368566
6-(butan-2-ylamino)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109362412
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369670

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109369598) is 6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1nc(NCc2ccccc2F)cc(C(=O)Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is JJBSVUWBSHTTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14(2)16-8-10-18(11-9-16)27-22(28)20-12-21(26-15(3)25-20)24-13-17-6-4-5-7-19(17)23/h4-12,14H,13H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of 6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109369598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).