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

C10H13N3S — CID 63197779

IUPAC1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine
SMILESCCC(N)Cc1ncnc2sccc12
InChIInChI=1S/C10H13N3S/c1-2-7(11)5-9-8-3-4-14-10(8)13-6-12-9/h3-4,6-7H,2,5,11H2,1H3
InChIKeyRFJIJFJHMVZVDJ-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.97
Rot. Bonds3

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

1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine (PubChem CID 63197779) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine
PubChem CID63197779
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine
SMILESCCC(N)Cc1ncnc2sccc12
InChIInChI=1S/C10H13N3S/c1-2-7(11)5-9-8-3-4-14-10(8)13-6-12-9/h3-4,6-7H,2,5,11H2,1H3
InChIKeyRFJIJFJHMVZVDJ-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine
CID 63196630
N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpropan-2-amine
CID 63199538
4-(2-chloro-3,3-dimethylbutyl)thieno[2,3-d]pyrimidine
CID 63202692
1-cyclopropyl-2-thieno[2,3-d]pyrimidin-4-ylethanamine
CID 63352857
N-methyl-1-phenyl-2-thieno[2,3-d]pyrimidin-4-ylethanamine
CID 55162208
1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
CID 63197828
diethyl 2-thieno[2,3-d]pyrimidin-4-ylpropanedioate
CID 104573514
N-(2-chloroethyl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63390383
2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-amine
CID 82146821
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
4-(2-methylpentan-2-yl)thieno[2,3-d]pyrimidine
CID 137379847
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
CID 63196590

Frequently Asked Questions

What is the IUPAC name of 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine?
The IUPAC name of 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine (CID 63197779) is 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine.
What is the SMILES notation for 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine?
The canonical SMILES for 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine is CCC(N)Cc1ncnc2sccc12.
What is the InChIKey of 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine?
The InChIKey is RFJIJFJHMVZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-7(11)5-9-8-3-4-14-10(8)13-6-12-9/h3-4,6-7H,2,5,11H2,1H3.
What are the key properties of 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine?
1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine has a molecular weight of 207.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-d]pyrimidin-4-ylbutan-2-amine is sourced from PubChem (CID 63197779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).