N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C17H23N5 — CID 99968384

IUPACN-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1
InChIInChI=1S/C17H23N5/c1-3-14-4-6-15(7-5-14)20-16-12-17(19-13-18-16)22-10-8-21(2)9-11-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,19,20)
InChIKeyIFYKMJOEXHPRHO-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.53
Rot. Bonds4

About N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 99968384) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID99968384
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1
InChIInChI=1S/C17H23N5/c1-3-14-4-6-15(7-5-14)20-16-12-17(19-13-18-16)22-10-8-21(2)9-11-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,19,20)
InChIKeyIFYKMJOEXHPRHO-UHFFFAOYSA-N
XLogP2.53
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968434
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856432
N-(3-chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968425
6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857972
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862274
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200
6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine
CID 99968435
[1-[6-(4-methylanilino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53170560
ethyl 4-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112858175
1-(4-ethylphenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545509

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 99968384) is N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CCc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is IFYKMJOEXHPRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-14-4-6-15(7-5-14)20-16-12-17(19-13-18-16)22-10-8-21(2)9-11-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 99968384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).