2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine

C17H18N4S — CID 665216

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Sc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C17H18N4S/c1-11-10-12(2)19-17(18-11)22-16-13(3)20-21(14(16)4)15-8-6-5-7-9-15/h5-10H,1-4H3
InChIKeyAHACBDKJFCKMTO-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.05
Rot. Bonds3

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine (PubChem CID 665216) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine
PubChem CID665216
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Sc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C17H18N4S/c1-11-10-12(2)19-17(18-11)22-16-13(3)20-21(14(16)4)15-8-6-5-7-9-15/h5-10H,1-4H3
InChIKeyAHACBDKJFCKMTO-UHFFFAOYSA-N
XLogP4.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-1-phenylpyrazole
CID 746388
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylthiochromen-4-one
CID 166441148
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
N-(2,5-dimethylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9034224
N-(3-acetylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9209621
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 9185083
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
[2-(dimethylamino)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate
CID 8944764
N-(2-chlorophenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9032028

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine (CID 665216) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine is Cc1cc(C)nc(Sc2c(C)nn(-c3ccccc3)c2C)n1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine?
The InChIKey is AHACBDKJFCKMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-11-10-12(2)19-17(18-11)22-16-13(3)20-21(14(16)4)15-8-6-5-7-9-15/h5-10H,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine has a molecular weight of 310.43 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-4,6-dimethylpyrimidine is sourced from PubChem (CID 665216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).