2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine

C12H16N4S — CID 115313394

IUPAC2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine
SMILESCC1CC(N)CCN1c1ncnc2sccc12
InChIInChI=1S/C12H16N4S/c1-8-6-9(13)2-4-16(8)11-10-3-5-17-12(10)15-7-14-11/h3,5,7-9H,2,4,6,13H2,1H3
InChIKeyBBAUGFYMOQXMFG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.01
Rot. Bonds1

About 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine

2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine (PubChem CID 115313394) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine
PubChem CID115313394
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine
SMILESCC1CC(N)CCN1c1ncnc2sccc12
InChIInChI=1S/C12H16N4S/c1-8-6-9(13)2-4-16(8)11-10-3-5-17-12(10)15-7-14-11/h3,5,7-9H,2,4,6,13H2,1H3
InChIKeyBBAUGFYMOQXMFG-UHFFFAOYSA-N
XLogP2.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-quinazolin-4-ylpiperidin-4-amine
CID 66801029
(7S)-7-methyl-1-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-5-one
CID 95617650
(4-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119376355
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
[(3R)-3-aminopyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119412925
(3-aminocyclopentyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119842588
4-[(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]thieno[2,3-d]pyrimidine
CID 97255565
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
(3-aminocyclohexyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119842591
4-[2-(bromomethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 80676014
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine?
The IUPAC name of 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine (CID 115313394) is 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine.
What is the SMILES notation for 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine?
The canonical SMILES for 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine is CC1CC(N)CCN1c1ncnc2sccc12.
What is the InChIKey of 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine?
The InChIKey is BBAUGFYMOQXMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-6-9(13)2-4-16(8)11-10-3-5-17-12(10)15-7-14-11/h3,5,7-9H,2,4,6,13H2,1H3.
What are the key properties of 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine?
2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine is sourced from PubChem (CID 115313394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).