N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide

C14H15FN4O — CID 109246780

IUPACN-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C14H15FN4O/c1-2-7-16-14-17-8-10(9-18-14)13(20)19-12-5-3-11(15)4-6-12/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyKUJIMKABHLUKFB-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.69
Rot. Bonds5

About N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide

N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide (PubChem CID 109246780) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
PubChem CID109246780
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC NameN-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C14H15FN4O/c1-2-7-16-14-17-8-10(9-18-14)13(20)19-12-5-3-11(15)4-6-12/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyKUJIMKABHLUKFB-UHFFFAOYSA-N
XLogP2.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261372
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261551
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246763
N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263536
N-(4-fluorophenyl)-2-methylsulfinylpyrimidine-5-carboxamide
CID 86760384
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260172

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide (CID 109246780) is N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide is CCCNc1ncc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The InChIKey is KUJIMKABHLUKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-2-7-16-14-17-8-10(9-18-14)13(20)19-12-5-3-11(15)4-6-12/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide?
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109246780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).