N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine

C16H16N4S — CID 81148282

IUPACN-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2cnc3ccsc3c2)nc2c1CCCC2
InChIInChI=1S/C16H16N4S/c1-17-16-11-4-2-3-5-12(11)19-15(20-16)10-8-14-13(18-9-10)6-7-21-14/h6-9H,2-5H2,1H3,(H,17,19,20)
InChIKeyPQNYGPQMAUZZKA-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.67
Rot. Bonds2

About N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine

N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 81148282) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID81148282
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC NameN-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2cnc3ccsc3c2)nc2c1CCCC2
InChIInChI=1S/C16H16N4S/c1-17-16-11-4-2-3-5-12(11)19-15(20-16)10-8-14-13(18-9-10)6-7-21-14/h6-9H,2-5H2,1H3,(H,17,19,20)
InChIKeyPQNYGPQMAUZZKA-UHFFFAOYSA-N
XLogP3.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 81148282) is N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(-c2cnc3ccsc3c2)nc2c1CCCC2.
What is the InChIKey of N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is PQNYGPQMAUZZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-17-16-11-4-2-3-5-12(11)19-15(20-16)10-8-14-13(18-9-10)6-7-21-14/h6-9H,2-5H2,1H3,(H,17,19,20).
What are the key properties of N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 296.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 81148282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).