N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine

C12H10N4OS — CID 155595848

IUPACN-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3ccsc23)ccn1
InChIInChI=1S/C12H10N4OS/c1-17-10-6-8(2-4-13-10)16-12-11-9(3-5-18-11)14-7-15-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyBJDSQQXZQOIFMW-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.84
Rot. Bonds3

About N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine

N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 155595848) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID155595848
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3ccsc23)ccn1
InChIInChI=1S/C12H10N4OS/c1-17-10-6-8(2-4-13-10)16-12-11-9(3-5-18-11)14-7-15-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyBJDSQQXZQOIFMW-UHFFFAOYSA-N
XLogP2.84
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine (CID 155595848) is N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine is COc1cc(Nc2ncnc3ccsc23)ccn1.
What is the InChIKey of N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BJDSQQXZQOIFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-17-10-6-8(2-4-13-10)16-12-11-9(3-5-18-11)14-7-15-12/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine?
N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 258.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-pyridinyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 155595848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).