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

C16H24N4S — CID 62588139

IUPAC2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCN(c2ncnc3sccc23)C1
InChIInChI=1S/C16H24N4S/c1-16(2,3)19-9-12-5-4-7-20(10-12)14-13-6-8-21-15(13)18-11-17-14/h6,8,11-12,19H,4-5,7,9-10H2,1-3H3
InChIKeyQUQZREDKZHACKP-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.30
Rot. Bonds3

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

2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine (PubChem CID 62588139) 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-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine
PubChem CID62588139
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-2-amine
SMILESCC(C)(C)NCC1CCCN(c2ncnc3sccc23)C1
InChIInChI=1S/C16H24N4S/c1-16(2,3)19-9-12-5-4-7-20(10-12)14-13-6-8-21-15(13)18-11-17-14/h6,8,11-12,19H,4-5,7,9-10H2,1-3H3
InChIKeyQUQZREDKZHACKP-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62587427
4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53230258
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-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 86773701
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methanone;hydrochloride
CID 119541949
N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 119575525
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 116649438
4-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133390610
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[2,3-d]pyrimidine
CID 11936596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine (CID 62588139) is 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine is CC(C)(C)NCC1CCCN(c2ncnc3sccc23)C1.
What is the InChIKey of 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
The InChIKey is QUQZREDKZHACKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-16(2,3)19-9-12-5-4-7-20(10-12)14-13-6-8-21-15(13)18-11-17-14/h6,8,11-12,19H,4-5,7,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine?
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.30, 3 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-2-amine is sourced from PubChem (CID 62588139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).