N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine

C21H31N5 — CID 112914217

IUPACN-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(C)nc(Nc3ccc(C(C)(C)C)cc3)n2)CC1
InChIInChI=1S/C21H31N5/c1-6-25-11-13-26(14-12-25)19-15-16(2)22-20(24-19)23-18-9-7-17(8-10-18)21(3,4)5/h7-10,15H,6,11-14H2,1-5H3,(H,22,23,24)
InChIKeyYFRZAAKXWVGOIK-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.97
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine

N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112914217) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112914217
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC NameN-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCN1CCN(c2cc(C)nc(Nc3ccc(C(C)(C)C)cc3)n2)CC1
InChIInChI=1S/C21H31N5/c1-6-25-11-13-26(14-12-25)19-15-16(2)22-20(24-19)23-18-9-7-17(8-10-18)21(3,4)5/h7-10,15H,6,11-14H2,1-5H3,(H,22,23,24)
InChIKeyYFRZAAKXWVGOIK-UHFFFAOYSA-N
XLogP3.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
4-[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112914293
N-(2-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914216
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914202
1-[3-[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112914246
N-(2,4-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914275
4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270
4-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112913275
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047736
tert-butyl 4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 122624197
1-[4-[2-[4-(diethylamino)anilino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914934
ethyl 4-[6-methyl-2-(4-propan-2-ylanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112923302

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine (CID 112914217) is N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine is CCN1CCN(c2cc(C)nc(Nc3ccc(C(C)(C)C)cc3)n2)CC1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is YFRZAAKXWVGOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-6-25-11-13-26(14-12-25)19-15-16(2)22-20(24-19)23-18-9-7-17(8-10-18)21(3,4)5/h7-10,15H,6,11-14H2,1-5H3,(H,22,23,24).
What are the key properties of N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 353.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112914217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).