N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine

C20H25N5S — CID 133287212

IUPACN-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(CNc1ncnc2sc(-c3ccccc3)cc12)N1CCN(C)CC1
InChIInChI=1S/C20H25N5S/c1-15(25-10-8-24(2)9-11-25)13-21-19-17-12-18(16-6-4-3-5-7-16)26-20(17)23-14-22-19/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,21,22,23)
InChIKeyPOLMLJXQYIFDSH-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133287212) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133287212
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC NameN-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(CNc1ncnc2sc(-c3ccccc3)cc12)N1CCN(C)CC1
InChIInChI=1S/C20H25N5S/c1-15(25-10-8-24(2)9-11-25)13-21-19-17-12-18(16-6-4-3-5-7-16)26-20(17)23-14-22-19/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,21,22,23)
InChIKeyPOLMLJXQYIFDSH-UHFFFAOYSA-N
XLogP3.41
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 60505649
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
N-[(2R)-5-methylhexan-2-yl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7831254
N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 113222136
N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 71684939
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 52677951
1-(4-benzhydrylpiperazin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081494
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500
N-[2-methyl-1-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 133296139
(1R)-1-(4-nitrophenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 9280950
ethyl 1-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]piperidine-4-carboxylate
CID 39082118

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133287212) is N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine is CC(CNc1ncnc2sc(-c3ccccc3)cc12)N1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is POLMLJXQYIFDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-15(25-10-8-24(2)9-11-25)13-21-19-17-12-18(16-6-4-3-5-7-16)26-20(17)23-14-22-19/h3-7,12,14-15H,8-11,13H2,1-2H3,(H,21,22,23).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 367.52 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)propyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133287212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).