2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine

C22H20N4O — CID 1070777

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C22H20N4O/c1-15-13-16(2)26(25-15)22-23-20(17-7-5-4-6-8-17)14-21(24-22)18-9-11-19(27-3)12-10-18/h4-14H,1-3H3
InChIKeyULTMCMVKWVPNLJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.62
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine

2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine (PubChem CID 1070777) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine
PubChem CID1070777
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C22H20N4O/c1-15-13-16(2)26(25-15)22-23-20(17-7-5-4-6-8-17)14-21(24-22)18-9-11-19(27-3)12-10-18/h4-14H,1-3H3
InChIKeyULTMCMVKWVPNLJ-UHFFFAOYSA-N
XLogP4.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidin-4-yl]phenol
CID 137062038
2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)pyrimidin-4-yl]phenol
CID 2854053
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
2-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-amine
CID 82192539
[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole
CID 8003571
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine (CID 1070777) is 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine is COc1ccc(-c2cc(-c3ccccc3)nc(-n3nc(C)cc3C)n2)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine?
The InChIKey is ULTMCMVKWVPNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15-13-16(2)26(25-15)22-23-20(17-7-5-4-6-8-17)14-21(24-22)18-9-11-19(27-3)12-10-18/h4-14H,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine?
2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine has a molecular weight of 356.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 1070777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).