4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine

C12H12ClN3S — CID 103321099

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine
SMILESClc1nc(N2CC3CCC2C3)c2ccsc2n1
InChIInChI=1S/C12H12ClN3S/c13-12-14-10(9-3-4-17-11(9)15-12)16-6-7-1-2-8(16)5-7/h3-4,7-8H,1-2,5-6H2
InChIKeySVEORINIDCXZHG-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.33
Rot. Bonds1

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine

4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine (PubChem CID 103321099) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine
PubChem CID103321099
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine
SMILESClc1nc(N2CC3CCC2C3)c2ccsc2n1
InChIInChI=1S/C12H12ClN3S/c13-12-14-10(9-3-4-17-11(9)15-12)16-6-7-1-2-8(16)5-7/h3-4,7-8H,1-2,5-6H2
InChIKeySVEORINIDCXZHG-UHFFFAOYSA-N
XLogP3.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thieno[2,3-d]pyrimidine
CID 103322041
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 103321558
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321337
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103322108
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 103321627
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 63588413
2-(3-chloro-1,2,4-triazin-5-yl)-2-azabicyclo[2.2.1]heptane
CID 114999242
4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 103322706
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62207342
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine
CID 80805656

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine (CID 103321099) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine is Clc1nc(N2CC3CCC2C3)c2ccsc2n1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine?
The InChIKey is SVEORINIDCXZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c13-12-14-10(9-3-4-17-11(9)15-12)16-6-7-1-2-8(16)5-7/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine has a molecular weight of 265.77 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 103321099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).