2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine

C12H14ClN3OS — CID 103322269

IUPAC2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1OCCC1N(C)c1nc(Cl)nc2sccc12
InChIInChI=1S/C12H14ClN3OS/c1-7-9(3-5-17-7)16(2)10-8-4-6-18-11(8)15-12(13)14-10/h4,6-7,9H,3,5H2,1-2H3
InChIKeyNVWHDIICKZCBFF-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.96
Rot. Bonds2

About 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322269) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103322269
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1OCCC1N(C)c1nc(Cl)nc2sccc12
InChIInChI=1S/C12H14ClN3OS/c1-7-9(3-5-17-7)16(2)10-8-4-6-18-11(8)15-12(13)14-10/h4,6-7,9H,3,5H2,1-2H3
InChIKeyNVWHDIICKZCBFF-UHFFFAOYSA-N
XLogP2.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 103322269) is 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine is CC1OCCC1N(C)c1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NVWHDIICKZCBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-7-9(3-5-17-7)16(2)10-8-4-6-18-11(8)15-12(13)14-10/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.78 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).