4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine

C18H16N6S — CID 92566305

IUPAC4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCn1nccc1-c1nc(NCc2ccccn2)ncc1-c1ccsc1
InChIInChI=1S/C18H16N6S/c1-24-16(5-8-22-24)17-15(13-6-9-25-12-13)11-21-18(23-17)20-10-14-4-2-3-7-19-14/h2-9,11-12H,10H2,1H3,(H,20,21,23)
InChIKeyPIFCACRCPVZLBC-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.61
Rot. Bonds5

About 4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine

4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 92566305) has the molecular formula C18H16N6S and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID92566305
Molecular FormulaC18H16N6S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Name4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCn1nccc1-c1nc(NCc2ccccn2)ncc1-c1ccsc1
InChIInChI=1S/C18H16N6S/c1-24-16(5-8-22-24)17-15(13-6-9-25-12-13)11-21-18(23-17)20-10-14-4-2-3-7-19-14/h2-9,11-12H,10H2,1H3,(H,20,21,23)
InChIKeyPIFCACRCPVZLBC-UHFFFAOYSA-N
XLogP3.61
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine (CID 92566305) is 4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine is Cn1nccc1-c1nc(NCc2ccccn2)ncc1-c1ccsc1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is PIFCACRCPVZLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S/c1-24-16(5-8-22-24)17-15(13-6-9-25-12-13)11-21-18(23-17)20-10-14-4-2-3-7-19-14/h2-9,11-12H,10H2,1H3,(H,20,21,23).
What are the key properties of 4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 348.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 92566305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).