4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide

C17H22N6O — CID 53143924

IUPAC4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1
InChIInChI=1S/C17H22N6O/c1-2-22-8-10-23(11-9-22)17-19-12-14(15(18)21-17)16(24)20-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,20,24)(H2,18,19,21)
InChIKeyVNTUQTXJUJKPJK-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.45
Rot. Bonds4

About 4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide

4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide (PubChem CID 53143924) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
PubChem CID53143924
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1
InChIInChI=1S/C17H22N6O/c1-2-22-8-10-23(11-9-22)17-19-12-14(15(18)21-17)16(24)20-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,20,24)(H2,18,19,21)
InChIKeyVNTUQTXJUJKPJK-UHFFFAOYSA-N
XLogP1.45
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
4-amino-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
CID 53336280
4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
CID 53336281
N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504096
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504102
4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 53490821
2-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 66504041
4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 53144022
N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 20959576
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
4-amino-2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 172594354

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide (CID 53143924) is 4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide is CCN1CCN(c2ncc(C(=O)Nc3ccccc3)c(N)n2)CC1.
What is the InChIKey of 4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide?
The InChIKey is VNTUQTXJUJKPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-2-22-8-10-23(11-9-22)17-19-12-14(15(18)21-17)16(24)20-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,20,24)(H2,18,19,21).
What are the key properties of 4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide?
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).