N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine

C12H14ClN3OS — CID 112750187

IUPACN-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1nc(Cl)nc2ccsc12)C1CC1
InChIInChI=1S/C12H14ClN3OS/c1-16(8-2-3-8)5-6-17-11-10-9(4-7-18-10)14-12(13)15-11/h4,7-8H,2-3,5-6H2,1H3
InChIKeyWXFZAKQFXRFDDR-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine

N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine (PubChem CID 112750187) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
PubChem CID112750187
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC NameN-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1nc(Cl)nc2ccsc12)C1CC1
InChIInChI=1S/C12H14ClN3OS/c1-16(8-2-3-8)5-6-17-11-10-9(4-7-18-10)14-12(13)15-11/h4,7-8H,2-3,5-6H2,1H3
InChIKeyWXFZAKQFXRFDDR-UHFFFAOYSA-N
XLogP2.82
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine (CID 112750187) is N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine is CN(CCOc1nc(Cl)nc2ccsc12)C1CC1.
What is the InChIKey of N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine?
The InChIKey is WXFZAKQFXRFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-16(8-2-3-8)5-6-17-11-10-9(4-7-18-10)14-12(13)15-11/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine?
N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine has a molecular weight of 283.78 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorothieno[3,2-d]pyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 112750187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).