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

C13H18N4S — CID 103327459

IUPAC4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCC1(C)CCN(c2nc(N)nc3sccc23)CC1
InChIInChI=1S/C13H18N4S/c1-13(2)4-6-17(7-5-13)10-9-3-8-18-11(9)16-12(14)15-10/h3,8H,4-7H2,1-2H3,(H2,14,15,16)
InChIKeyXLWXLRRGOIJSHP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.90
Rot. Bonds1

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

4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327459) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103327459
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCC1(C)CCN(c2nc(N)nc3sccc23)CC1
InChIInChI=1S/C13H18N4S/c1-13(2)4-6-17(7-5-13)10-9-3-8-18-11(9)16-12(14)15-10/h3,8H,4-7H2,1-2H3,(H2,14,15,16)
InChIKeyXLWXLRRGOIJSHP-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
4-(4,4-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327461
4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327357
4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327122
4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid
CID 118611809
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
CID 103328728
[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 71514588
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 107460148
4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330666
[1-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103325517
[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334986

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103327459) is 4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine is CC1(C)CCN(c2nc(N)nc3sccc23)CC1.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is XLWXLRRGOIJSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-13(2)4-6-17(7-5-13)10-9-3-8-18-11(9)16-12(14)15-10/h3,8H,4-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
4-(4,4-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-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).