4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide

C15H18N6O — CID 53143912

IUPAC4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCN(c3ccccc3)CC2)nc1N
InChIInChI=1S/C15H18N6O/c16-13-12(14(17)22)10-18-15(19-13)21-8-6-20(7-9-21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,17,22)(H2,16,18,19)
InChIKeyHNHGFJXDZDCHRG-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.48
Rot. Bonds3

About 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide

4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 53143912) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID53143912
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCN(c3ccccc3)CC2)nc1N
InChIInChI=1S/C15H18N6O/c16-13-12(14(17)22)10-18-15(19-13)21-8-6-20(7-9-21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,17,22)(H2,16,18,19)
InChIKeyHNHGFJXDZDCHRG-UHFFFAOYSA-N
XLogP0.48
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 91888334
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
4-amino-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
CID 53336280
(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-[4-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 135144580
5-(benzenesulfonyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 91887069
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
CID 53336281
2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995741
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
4-amino-2-morpholin-4-ylpyrimidine-5-carboxylic acid;2,2,2-trifluoro-1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone
CID 160572549

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 53143912) is 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide is NC(=O)c1cnc(N2CCN(c3ccccc3)CC2)nc1N.
What is the InChIKey of 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is HNHGFJXDZDCHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c16-13-12(14(17)22)10-18-15(19-13)21-8-6-20(7-9-21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,17,22)(H2,16,18,19).
What are the key properties of 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide?
4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53143912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).