2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide

C23H26N6OS — CID 66973694

IUPAC2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide
SMILESCN1CCN(c2ncc(Sc3cccc(NC(=O)CN)c3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H26N6OS/c1-28-10-12-29(13-11-28)23-25-16-20(22(27-23)17-6-3-2-4-7-17)31-19-9-5-8-18(14-19)26-21(30)15-24/h2-9,14,16H,10-13,15,24H2,1H3,(H,26,30)
InChIKeyPRPJPXKHEXEWMD-UHFFFAOYSA-N
MW434.57 g/mol
LogP2.94
Rot. Bonds6

About 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide

2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide (PubChem CID 66973694) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide
PubChem CID66973694
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide
SMILESCN1CCN(c2ncc(Sc3cccc(NC(=O)CN)c3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H26N6OS/c1-28-10-12-29(13-11-28)23-25-16-20(22(27-23)17-6-3-2-4-7-17)31-19-9-5-8-18(14-19)26-21(30)15-24/h2-9,14,16H,10-13,15,24H2,1H3,(H,26,30)
InChIKeyPRPJPXKHEXEWMD-UHFFFAOYSA-N
XLogP2.94
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 118716418
N-(3-methylphenyl)-2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 6466372
N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 24877440
N-(3-((5-chloro-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)thio)phenyl)acrylamide
CID 44607531
N-(3-(methylthio)phenyl)-2-(pyridin-3-yl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54583515
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 57991037
N-[4-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 57991212
n-{4-[2-(Phenylamino)pyrimidin-4-yl]phenyl}acetamide
CID 69023801
N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 118450766
N-(4-{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-ylamino}-phenyl)-acetamide
CID 44353968
N-[4-(4-fluorophenyl)-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide
CID 155521919
1-[4-[3-[[5-Methyl-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 164612631

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide?
The IUPAC name of 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide (CID 66973694) is 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide is CN1CCN(c2ncc(Sc3cccc(NC(=O)CN)c3)c(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide?
The InChIKey is PRPJPXKHEXEWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-28-10-12-29(13-11-28)23-25-16-20(22(27-23)17-6-3-2-4-7-17)31-19-9-5-8-18(14-19)26-21(30)15-24/h2-9,14,16H,10-13,15,24H2,1H3,(H,26,30).
What are the key properties of 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide?
2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide has a molecular weight of 434.57 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[2-(4-methylpiperazin-1-yl)-4-phenylpyrimidin-5-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 66973694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).