4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine

C15H15N5S — CID 2824453

IUPAC4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine
SMILESCc1nn(C)c(C)c1Sc1nccc(-c2cccnc2)n1
InChIInChI=1S/C15H15N5S/c1-10-14(11(2)20(3)19-10)21-15-17-8-6-13(18-15)12-5-4-7-16-9-12/h4-9H,1-3H3
InChIKeyBFRDTYPCCVKMPH-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.04
Rot. Bonds3

About 4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine

4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine (PubChem CID 2824453) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine
PubChem CID2824453
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine
SMILESCc1nn(C)c(C)c1Sc1nccc(-c2cccnc2)n1
InChIInChI=1S/C15H15N5S/c1-10-14(11(2)20(3)19-10)21-15-17-8-6-13(18-15)12-5-4-7-16-9-12/h4-9H,1-3H3
InChIKeyBFRDTYPCCVKMPH-UHFFFAOYSA-N
XLogP3.04
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine?
The IUPAC name of 4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine (CID 2824453) is 4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine.
What is the SMILES notation for 4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine?
The canonical SMILES for 4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine is Cc1nn(C)c(C)c1Sc1nccc(-c2cccnc2)n1.
What is the InChIKey of 4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine?
The InChIKey is BFRDTYPCCVKMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-10-14(11(2)20(3)19-10)21-15-17-8-6-13(18-15)12-5-4-7-16-9-12/h4-9H,1-3H3.
What are the key properties of 4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine?
4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine has a molecular weight of 297.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)sulfanylpyrimidine is sourced from PubChem (CID 2824453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).