6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide

C22H23FN4O — CID 112852508

IUPAC6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCc2ccccc2F)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23FN4O/c1-3-15(2)25-20-13-19(26-21(27-20)16-9-5-4-6-10-16)22(28)24-14-17-11-7-8-12-18(17)23/h4-13,15H,3,14H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyCTNPIZWCVNXPAZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.42
Rot. Bonds7

About 6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide

6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852508) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
PubChem CID112852508
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCc2ccccc2F)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23FN4O/c1-3-15(2)25-20-13-19(26-21(27-20)16-9-5-4-6-10-16)22(28)24-14-17-11-7-8-12-18(17)23/h4-13,15H,3,14H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyCTNPIZWCVNXPAZ-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852514
6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852505
6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854020
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852515
6-(butan-2-ylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82170035
N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112854017
6-N-butan-2-yl-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094593
6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852541
N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323
2-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109321216
6-(2-ethylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369694

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide (CID 112852508) is 6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)NCc2ccccc2F)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is CTNPIZWCVNXPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-3-15(2)25-20-13-19(26-21(27-20)16-9-5-4-6-10-16)22(28)24-14-17-11-7-8-12-18(17)23/h4-13,15H,3,14H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).