4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine

C10H9ClN2S — CID 146636209

IUPAC4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine
SMILESClc1ncnc2sc(CC3CC3)cc12
InChIInChI=1S/C10H9ClN2S/c11-9-8-4-7(3-6-1-2-6)14-10(8)13-5-12-9/h4-6H,1-3H2
InChIKeyKWUHHUPINHHXTG-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.30
Rot. Bonds2

About 4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine

4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine (PubChem CID 146636209) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine
PubChem CID146636209
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine
SMILESClc1ncnc2sc(CC3CC3)cc12
InChIInChI=1S/C10H9ClN2S/c11-9-8-4-7(3-6-1-2-6)14-10(8)13-5-12-9/h4-6H,1-3H2
InChIKeyKWUHHUPINHHXTG-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
N-[(3-chlorocyclopentyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 106123831
2-chloro-3-(cyclopropylmethyl)-5-fluoropyridine
CID 162091541
6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 79720015
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
1-(4-benzylpiperidin-1-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 2417436
1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 65189090
3-N-methyl-3-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclopentane-1,3-diamine
CID 146669583
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine
CID 144752457
4-(6-azaspiro[3.4]octan-2-ylmethyl)benzoic acid;4-chloro-6-ethylthieno[2,3-d]pyrimidine;4-[[6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-2-yl]methyl]benzoic acid;methane
CID 165074511
N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 101442998

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine (CID 146636209) is 4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine is Clc1ncnc2sc(CC3CC3)cc12.
What is the InChIKey of 4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine?
The InChIKey is KWUHHUPINHHXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-9-8-4-7(3-6-1-2-6)14-10(8)13-5-12-9/h4-6H,1-3H2.
What are the key properties of 4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine?
4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine has a molecular weight of 224.72 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclopropylmethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 146636209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).