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

C14H21N5S — CID 103327357

IUPAC4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCC(C)N1CCN(c2nc(N)nc3sccc23)CC1
InChIInChI=1S/C14H21N5S/c1-3-10(2)18-5-7-19(8-6-18)12-11-4-9-20-13(11)17-14(15)16-12/h4,9-10H,3,5-8H2,1-2H3,(H2,15,16,17)
InChIKeyBNZIVEKIXFPVMC-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.19
Rot. Bonds3

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

4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327357) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103327357
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCC(C)N1CCN(c2nc(N)nc3sccc23)CC1
InChIInChI=1S/C14H21N5S/c1-3-10(2)18-5-7-19(8-6-18)12-11-4-9-20-13(11)17-14(15)16-12/h4,9-10H,3,5-8H2,1-2H3,(H2,15,16,17)
InChIKeyBNZIVEKIXFPVMC-UHFFFAOYSA-N
XLogP2.19
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)thieno[2,3-d]pyrimidin-2-amine
CID 103327459
2-ethyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403917
4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid
CID 118611809
6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 80824437
4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80832150
1-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 46231786
[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334986
4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327122
[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 71514588
4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
CID 104540306

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103327357) is 4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine is CCC(C)N1CCN(c2nc(N)nc3sccc23)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BNZIVEKIXFPVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-3-10(2)18-5-7-19(8-6-18)12-11-4-9-20-13(11)17-14(15)16-12/h4,9-10H,3,5-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 291.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).