4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide

C15H17FN4O — CID 83567180

IUPAC4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(-c2ccccc2F)nc1N
InChIInChI=1S/C15H17FN4O/c1-9(2)7-19-15(21)11-8-18-14(20-13(11)17)10-5-3-4-6-12(10)16/h3-6,8-9H,7H2,1-2H3,(H,19,21)(H2,17,18,20)
InChIKeyQYPFOOFNCYPKPP-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.25
Rot. Bonds4

About 4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide

4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 83567180) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID83567180
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(-c2ccccc2F)nc1N
InChIInChI=1S/C15H17FN4O/c1-9(2)7-19-15(21)11-8-18-14(20-13(11)17)10-5-3-4-6-12(10)16/h3-6,8-9H,7H2,1-2H3,(H,19,21)(H2,17,18,20)
InChIKeyQYPFOOFNCYPKPP-UHFFFAOYSA-N
XLogP2.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-methylpropyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567494
4-amino-2-(2-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567123
4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide
CID 83567253
4-amino-N-butyl-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 83567272
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 42670139
4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide
CID 83567296
2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169063
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 116646649
4-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)-N-(2-methylpropyl)benzamide
CID 123915722
4-amino-2-(4-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567104

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 83567180) is 4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide is CC(C)CNC(=O)c1cnc(-c2ccccc2F)nc1N.
What is the InChIKey of 4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is QYPFOOFNCYPKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-9(2)7-19-15(21)11-8-18-14(20-13(11)17)10-5-3-4-6-12(10)16/h3-6,8-9H,7H2,1-2H3,(H,19,21)(H2,17,18,20).
What are the key properties of 4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-fluorophenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 83567180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).