(3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

C14H18N4S — CID 133117838

IUPAC(3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESCc1cc2c(N3C[C@@H](N)[C@H](C4CC4)C3)ncnc2s1
InChIInChI=1S/C14H18N4S/c1-8-4-10-13(16-7-17-14(10)19-8)18-5-11(9-2-3-9)12(15)6-18/h4,7,9,11-12H,2-3,5-6,15H2,1H3/t11-,12+/m0/s1
InChIKeyUKFUFWSGEXDYOA-NWDGAFQWSA-N
MW274.39 g/mol
LogP2.17
Rot. Bonds2

About (3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

(3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 133117838) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is (3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID133117838
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name(3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESCc1cc2c(N3C[C@@H](N)[C@H](C4CC4)C3)ncnc2s1
InChIInChI=1S/C14H18N4S/c1-8-4-10-13(16-7-17-14(10)19-8)18-5-11(9-2-3-9)12(15)6-18/h4,7,9,11-12H,2-3,5-6,15H2,1H3/t11-,12+/m0/s1
InChIKeyUKFUFWSGEXDYOA-NWDGAFQWSA-N
XLogP2.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
(3S,6R)-6-(dimethylamino)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)azepane-3-carboxylic acid
CID 169417344
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine
CID 115314651
4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133409285
(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 135113953
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
4-[4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 72881692
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487136
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (CID 133117838) is (3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine is Cc1cc2c(N3C[C@@H](N)[C@H](C4CC4)C3)ncnc2s1.
What is the InChIKey of (3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is UKFUFWSGEXDYOA-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18N4S/c1-8-4-10-13(16-7-17-14(10)19-8)18-5-11(9-2-3-9)12(15)6-18/h4,7,9,11-12H,2-3,5-6,15H2,1H3/t11-,12+/m0/s1.
What are the key properties of (3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
(3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 274.39 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 133117838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).