6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine

C17H12ClN5S — CID 45274329

IUPAC6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cnccn2)nc2sc(Cc3ccccc3Cl)cc12
InChIInChI=1S/C17H12ClN5S/c18-13-4-2-1-3-10(13)7-11-8-12-15(19)22-16(23-17(12)24-11)14-9-20-5-6-21-14/h1-6,8-9H,7H2,(H2,19,22,23)
InChIKeySVHFCGDECFBARV-UHFFFAOYSA-N
MW353.84 g/mol
LogP3.97
Rot. Bonds3

About 6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine

6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 45274329) has the molecular formula C17H12ClN5S and a molecular weight of 353.84 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID45274329
Molecular FormulaC17H12ClN5S
Molecular Weight353.84 g/mol
Exact Mass353.05
IUPAC Name6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cnccn2)nc2sc(Cc3ccccc3Cl)cc12
InChIInChI=1S/C17H12ClN5S/c18-13-4-2-1-3-10(13)7-11-8-12-15(19)22-16(23-17(12)24-11)14-9-20-5-6-21-14/h1-6,8-9H,7H2,(H2,19,22,23)
InChIKeySVHFCGDECFBARV-UHFFFAOYSA-N
XLogP3.97
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 5328422
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CID 25190906
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CID 122178124
CID 122178124
CID 122178125
CID 122178125
CID 122178126
CID 122178126
CID 941960
CID 941960
CID 2823823
CID 2823823
CID 1069463
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CID 944383
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CID 2745488
CID 2745488

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 45274329) is 6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2cnccn2)nc2sc(Cc3ccccc3Cl)cc12.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SVHFCGDECFBARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5S/c18-13-4-2-1-3-10(13)7-11-8-12-15(19)22-16(23-17(12)24-11)14-9-20-5-6-21-14/h1-6,8-9H,7H2,(H2,19,22,23).
What are the key properties of 6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine?
6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 353.84 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45274329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).