4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine

C13H15ClN4S — CID 103322108

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine
SMILESClc1nc(N2CCN3CCCC3C2)c2ccsc2n1
InChIInChI=1S/C13H15ClN4S/c14-13-15-11(10-3-7-19-12(10)16-13)18-6-5-17-4-1-2-9(17)8-18/h3,7,9H,1-2,4-6,8H2
InChIKeyBESVKLCZKPQWAO-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.63
Rot. Bonds1

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine (PubChem CID 103322108) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine
PubChem CID103322108
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine
SMILESClc1nc(N2CCN3CCCC3C2)c2ccsc2n1
InChIInChI=1S/C13H15ClN4S/c14-13-15-11(10-3-7-19-12(10)16-13)18-6-5-17-4-1-2-9(17)8-18/h3,7,9H,1-2,4-6,8H2
InChIKeyBESVKLCZKPQWAO-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 103321627
2-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thieno[2,3-d]pyrimidine
CID 103322041
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-chloroquinazoline
CID 79917034
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103321099
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321337
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]thieno[2,3-c]pyridine
CID 11379923
4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133403396
4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 103322706
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80854578
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79932781

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine (CID 103322108) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine is Clc1nc(N2CCN3CCCC3C2)c2ccsc2n1.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine?
The InChIKey is BESVKLCZKPQWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c14-13-15-11(10-3-7-19-12(10)16-13)18-6-5-17-4-1-2-9(17)8-18/h3,7,9H,1-2,4-6,8H2.
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine has a molecular weight of 294.81 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 103322108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).