(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine

C11H14N4S — CID 62591385

IUPAC(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
SMILESNCC1CCCN1c1ncnc2sccc12
InChIInChI=1S/C11H14N4S/c12-6-8-2-1-4-15(8)10-9-3-5-16-11(9)14-7-13-10/h3,5,7-8H,1-2,4,6,12H2
InChIKeyUYKHYNAWQKOBAO-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.62
Rot. Bonds2

About (1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine

(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine (PubChem CID 62591385) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is (1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
PubChem CID62591385
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
SMILESNCC1CCCN1c1ncnc2sccc12
InChIInChI=1S/C11H14N4S/c12-6-8-2-1-4-15(8)10-9-3-5-16-11(9)14-7-13-10/h3,5,7-8H,1-2,4,6,12H2
InChIKeyUYKHYNAWQKOBAO-UHFFFAOYSA-N
XLogP1.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-chloropropyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390203
4-[2-(bromomethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 80676014
4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol
CID 8008870
(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine
CID 62592284
4-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95341463
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-aminopiperidin-1-yl)-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119376355
[4-(1-aminoethyl)piperidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119520374
[(3R)-3-aminopyrrolidin-1-yl]-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119412925
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
N-(2-amino-2-methylpropyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 119630002

Frequently Asked Questions

What is the IUPAC name of (1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of (1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine (CID 62591385) is (1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for (1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine is NCC1CCCN1c1ncnc2sccc12.
What is the InChIKey of (1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine?
The InChIKey is UYKHYNAWQKOBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c12-6-8-2-1-4-15(8)10-9-3-5-16-11(9)14-7-13-10/h3,5,7-8H,1-2,4,6,12H2.
What are the key properties of (1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine?
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine has a molecular weight of 234.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 62591385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).