2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine

C16H24N4S — CID 62587427

IUPAC2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCCN(c2ncnc3sccc23)C1
InChIInChI=1S/C16H24N4S/c1-12(2)8-17-9-13-4-3-6-20(10-13)15-14-5-7-21-16(14)19-11-18-15/h5,7,11-13,17H,3-4,6,8-10H2,1-2H3
InChIKeyGGLDBMNJFSXYJT-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.15
Rot. Bonds5

About 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine

2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine (PubChem CID 62587427) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine
PubChem CID62587427
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCCN(c2ncnc3sccc23)C1
InChIInChI=1S/C16H24N4S/c1-12(2)8-17-9-13-4-3-6-20(10-13)15-14-5-7-21-16(14)19-11-18-15/h5,7,11-13,17H,3-4,6,8-10H2,1-2H3
InChIKeyGGLDBMNJFSXYJT-UHFFFAOYSA-N
XLogP3.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588139
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53230258
N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587609
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methanone;hydrochloride
CID 119541949
N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119499104
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588134
(2R)-3-methyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119369272
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 104606621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine (CID 62587427) is 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine is CC(C)CNCC1CCCN(c2ncnc3sccc23)C1.
What is the InChIKey of 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine?
The InChIKey is GGLDBMNJFSXYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-12(2)8-17-9-13-4-3-6-20(10-13)15-14-5-7-21-16(14)19-11-18-15/h5,7,11-13,17H,3-4,6,8-10H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine?
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62587427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).