5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine

C16H21N5 — CID 97192131

IUPAC5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCN[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H21N5/c1-2-12-10-19-16(17)20-15(12)21-9-8-18-14(11-21)13-6-4-3-5-7-13/h3-7,10,14,18H,2,8-9,11H2,1H3,(H2,17,19,20)/t14-/m1/s1
InChIKeyCXEPNUJECLFIOD-CQSZACIVSA-N
MW283.38 g/mol
LogP1.77
Rot. Bonds3

About 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine

5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine (PubChem CID 97192131) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
PubChem CID97192131
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCN[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H21N5/c1-2-12-10-19-16(17)20-15(12)21-9-8-18-14(11-21)13-6-4-3-5-7-13/h3-7,10,14,18H,2,8-9,11H2,1H3,(H2,17,19,20)/t14-/m1/s1
InChIKeyCXEPNUJECLFIOD-CQSZACIVSA-N
XLogP1.77
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-4-(3-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 72862152
5-ethyl-4-[(3R)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192130
5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
CID 16740447
4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 97188114
N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104870
4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
CID 166271344
5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
CID 72890235
(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155506874
5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 72856835
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105030
6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline
CID 143607812

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine (CID 97192131) is 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine is CCc1cnc(N)nc1N1CCN[C@@H](c2ccccc2)C1.
What is the InChIKey of 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine?
The InChIKey is CXEPNUJECLFIOD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-12-10-19-16(17)20-15(12)21-9-8-18-14(11-21)13-6-4-3-5-7-13/h3-7,10,14,18H,2,8-9,11H2,1H3,(H2,17,19,20)/t14-/m1/s1.
What are the key properties of 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine?
5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 97192131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).