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

C11H12ClN3OS — CID 103322515

IUPAC2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(Cl)nc3sccc23)CCOC1
InChIInChI=1S/C11H12ClN3OS/c1-11(3-4-16-6-11)15-8-7-2-5-17-9(7)14-10(12)13-8/h2,5H,3-4,6H2,1H3,(H,13,14,15)
InChIKeyRFSSPBSLQDYTJD-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.94
Rot. Bonds2

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

2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322515) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103322515
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(Cl)nc3sccc23)CCOC1
InChIInChI=1S/C11H12ClN3OS/c1-11(3-4-16-6-11)15-8-7-2-5-17-9(7)14-10(12)13-8/h2,5H,3-4,6H2,1H3,(H,13,14,15)
InChIKeyRFSSPBSLQDYTJD-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330122
2-N-ethyl-4-N-(4-methyloxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330237
2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321352
2-chloro-N-[(1-ethylcyclobutyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114109137
4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 103322706
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619
2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321534
2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330161
2-methyl-N-(3-methyloxolan-3-yl)quinazolin-4-amine
CID 118418826
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 103322519
2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214079

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 103322515) is 2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine is CC1(Nc2nc(Cl)nc3sccc23)CCOC1.
What is the InChIKey of 2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RFSSPBSLQDYTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-11(3-4-16-6-11)15-8-7-2-5-17-9(7)14-10(12)13-8/h2,5H,3-4,6H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.76 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).