[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine

C15H21N5S — CID 80719354

IUPAC[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H21N5S/c1-12-13(9-14(10-16)21-12)11-19-5-7-20(8-6-19)15-17-3-2-4-18-15/h2-4,9H,5-8,10-11,16H2,1H3
InChIKeyXQSBTKSANLATFW-UHFFFAOYSA-N
MW303.44 g/mol
LogP1.63
Rot. Bonds4

About [5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine

[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 80719354) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is [5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID80719354
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H21N5S/c1-12-13(9-14(10-16)21-12)11-19-5-7-20(8-6-19)15-17-3-2-4-18-15/h2-4,9H,5-8,10-11,16H2,1H3
InChIKeyXQSBTKSANLATFW-UHFFFAOYSA-N
XLogP1.63
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
CID 80729487
2-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline
CID 43509117
[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 114238335
7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 23606550
2-methyl-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3,4-thiadiazole
CID 118773241
2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 16593308
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 107105483
2-[4-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 1376777
5-methoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 3816451
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 36921264

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine (CID 80719354) is [5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine is Cc1sc(CN)cc1CN1CCN(c2ncccn2)CC1.
What is the InChIKey of [5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is XQSBTKSANLATFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-12-13(9-14(10-16)21-12)11-19-5-7-20(8-6-19)15-17-3-2-4-18-15/h2-4,9H,5-8,10-11,16H2,1H3.
What are the key properties of [5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine?
[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 303.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80719354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).