N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine

C15H13N3S — CID 164622289

IUPACN-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCNc1nc(/C=C/c2ccccc2)nc2ccsc12
InChIInChI=1S/C15H13N3S/c1-16-15-14-12(9-10-19-14)17-13(18-15)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)/b8-7+
InChIKeyPWNWNHQAYHHAHC-BQYQJAHWSA-N
MW267.36 g/mol
LogP3.90
Rot. Bonds3

About N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine

N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 164622289) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID164622289
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCNc1nc(/C=C/c2ccccc2)nc2ccsc12
InChIInChI=1S/C15H13N3S/c1-16-15-14-12(9-10-19-14)17-13(18-15)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)/b8-7+
InChIKeyPWNWNHQAYHHAHC-BQYQJAHWSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine (CID 164622289) is N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine is CNc1nc(/C=C/c2ccccc2)nc2ccsc12.
What is the InChIKey of N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is PWNWNHQAYHHAHC-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13N3S/c1-16-15-14-12(9-10-19-14)17-13(18-15)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)/b8-7+.
What are the key properties of N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine?
N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 267.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 164622289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).