7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C17H14ClN5S — CID 126495636

IUPAC7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1Cl
InChIInChI=1S/C17H14ClN5S/c1-10-15(12-5-3-4-6-13(12)18)16-14(24-10)8-19-17(22-16)21-11-7-20-23(2)9-11/h3-9H,1-2H3,(H,19,21,22)
InChIKeyVEVBCYAIAJHOQM-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.80
Rot. Bonds3

About 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495636) has the molecular formula C17H14ClN5S and a molecular weight of 355.85 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495636
Molecular FormulaC17H14ClN5S
Molecular Weight355.85 g/mol
Exact Mass355.07
IUPAC Name7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1Cl
InChIInChI=1S/C17H14ClN5S/c1-10-15(12-5-3-4-6-13(12)18)16-14(24-10)8-19-17(22-16)21-11-7-20-23(2)9-11/h3-9H,1-2H3,(H,19,21,22)
InChIKeyVEVBCYAIAJHOQM-UHFFFAOYSA-N
XLogP4.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 126495636) is 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1Cl.
What is the InChIKey of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is VEVBCYAIAJHOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5S/c1-10-15(12-5-3-4-6-13(12)18)16-14(24-10)8-19-17(22-16)21-11-7-20-23(2)9-11/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 355.85 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).