N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine

C17H23N5 — CID 112888148

IUPACN-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine
SMILESCCN(c1ccccc1)c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H23N5/c1-3-22(15-7-5-4-6-8-15)16-9-10-18-17(19-16)21-13-11-20(2)12-14-21/h4-10H,3,11-14H2,1-2H3
InChIKeyGGLGENFSRSMRMG-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.39
Rot. Bonds4

About N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine

N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine (PubChem CID 112888148) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine
PubChem CID112888148
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine
SMILESCCN(c1ccccc1)c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H23N5/c1-3-22(15-7-5-4-6-8-15)16-9-10-18-17(19-16)21-13-11-20(2)12-14-21/h4-10H,3,11-14H2,1-2H3
InChIKeyGGLGENFSRSMRMG-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896475
N-ethyl-2-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-4-amine
CID 112900941
N-ethyl-N-phenyl-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
CID 173080172
4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 44613516
N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112946090
N-ethyl-N-(3-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112901156
N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine
CID 112936528
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
1-[4-[4-(N-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112889034
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302072
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine (CID 112888148) is N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine is CCN(c1ccccc1)c1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine?
The InChIKey is GGLGENFSRSMRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-22(15-7-5-4-6-8-15)16-9-10-18-17(19-16)21-13-11-20(2)12-14-21/h4-10H,3,11-14H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine?
N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 112888148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).