2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C11H12ClN3OS — CID 103321534

IUPAC2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1nc(NCC2CCOC2)c2ccsc2n1
InChIInChI=1S/C11H12ClN3OS/c12-11-14-9(8-2-4-17-10(8)15-11)13-5-7-1-3-16-6-7/h2,4,7H,1,3,5-6H2,(H,13,14,15)
InChIKeyHZPDTNWNULPAKW-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.79
Rot. Bonds3

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

2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321534) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321534
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1nc(NCC2CCOC2)c2ccsc2n1
InChIInChI=1S/C11H12ClN3OS/c12-11-14-9(8-2-4-17-10(8)15-11)13-5-7-1-3-16-6-7/h2,4,7H,1,3,5-6H2,(H,13,14,15)
InChIKeyHZPDTNWNULPAKW-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103321534) is 2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Clc1nc(NCC2CCOC2)c2ccsc2n1.
What is the InChIKey of 2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HZPDTNWNULPAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c12-11-14-9(8-2-4-17-10(8)15-11)13-5-7-1-3-16-6-7/h2,4,7H,1,3,5-6H2,(H,13,14,15).
What are the key properties of 2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.76 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).