2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine

C12H13ClN2O2S — CID 103319749

IUPAC2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
SMILESClc1nc(OCC2CCCCO2)c2ccsc2n1
InChIInChI=1S/C12H13ClN2O2S/c13-12-14-10(9-4-6-18-11(9)15-12)17-7-8-3-1-2-5-16-8/h4,6,8H,1-3,5,7H2
InChIKeyBLMWNNAHISNWQH-UHFFFAOYSA-N
MW284.77 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine

2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine (PubChem CID 103319749) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
PubChem CID103319749
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
SMILESClc1nc(OCC2CCCCO2)c2ccsc2n1
InChIInChI=1S/C12H13ClN2O2S/c13-12-14-10(9-4-6-18-11(9)15-12)17-7-8-3-1-2-5-16-8/h4,6,8H,1-3,5,7H2
InChIKeyBLMWNNAHISNWQH-UHFFFAOYSA-N
XLogP3.29
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
CID 83152491
N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62195337
2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
CID 103320209
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine
CID 103319718
4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
CID 63736573
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332489
2-[[(2S)-oxan-2-yl]methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 30764923
3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine
CID 63271994

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine (CID 103319749) is 2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine is Clc1nc(OCC2CCCCO2)c2ccsc2n1.
What is the InChIKey of 2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine?
The InChIKey is BLMWNNAHISNWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-12-14-10(9-4-6-18-11(9)15-12)17-7-8-3-1-2-5-16-8/h4,6,8H,1-3,5,7H2.
What are the key properties of 2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine?
2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine has a molecular weight of 284.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).