4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine

C13H18N4S — CID 103327122

IUPAC4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCC1CCCN(c2nc(N)nc3sccc23)C1C
InChIInChI=1S/C13H18N4S/c1-8-4-3-6-17(9(8)2)11-10-5-7-18-12(10)16-13(14)15-11/h5,7-9H,3-4,6H2,1-2H3,(H2,14,15,16)
InChIKeyLNAOUQFTWNKESA-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.90
Rot. Bonds1

About 4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine

4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327122) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103327122
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCC1CCCN(c2nc(N)nc3sccc23)C1C
InChIInChI=1S/C13H18N4S/c1-8-4-3-6-17(9(8)2)11-10-5-7-18-12(10)16-13(14)15-11/h5,7-9H,3-4,6H2,1-2H3,(H2,14,15,16)
InChIKeyLNAOUQFTWNKESA-UHFFFAOYSA-N
XLogP2.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323791
[1-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103325517
4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403862
4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327459
4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107421156
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321337
4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331134
1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103330918
4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327357
(3S)-4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 118611796
(3R)-4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 118611787
4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid
CID 118611809

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103327122) is 4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine is CC1CCCN(c2nc(N)nc3sccc23)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is LNAOUQFTWNKESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-4-3-6-17(9(8)2)11-10-5-7-18-12(10)16-13(14)15-11/h5,7-9H,3-4,6H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).