4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine

C22H21N5 — CID 29057238

IUPAC4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
SMILESCc1cc(C)nc(-c2cccc(-c3ccn(Cc4ccncc4C)n3)c2)n1
InChIInChI=1S/C22H21N5/c1-15-13-23-9-7-20(15)14-27-10-8-21(26-27)18-5-4-6-19(12-18)22-24-16(2)11-17(3)25-22/h4-13H,14H2,1-3H3
InChIKeyFEMZDERWZFRYKR-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.38
Rot. Bonds4

About 4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine

4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine (PubChem CID 29057238) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
PubChem CID29057238
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
SMILESCc1cc(C)nc(-c2cccc(-c3ccn(Cc4ccncc4C)n3)c2)n1
InChIInChI=1S/C22H21N5/c1-15-13-23-9-7-20(15)14-27-10-8-21(26-27)18-5-4-6-19(12-18)22-24-16(2)11-17(3)25-22/h4-13H,14H2,1-3H3
InChIKeyFEMZDERWZFRYKR-UHFFFAOYSA-N
XLogP4.38
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964672
3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide
CID 169043311
5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 28871478
4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 28664911
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964690
4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121360262
4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine
CID 28822694
2-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]-1,3-benzothiazole
CID 29254823
4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine
CID 29029041
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine (CID 29057238) is 4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine is Cc1cc(C)nc(-c2cccc(-c3ccn(Cc4ccncc4C)n3)c2)n1.
What is the InChIKey of 4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine?
The InChIKey is FEMZDERWZFRYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-15-13-23-9-7-20(15)14-27-10-8-21(26-27)18-5-4-6-19(12-18)22-24-16(2)11-17(3)25-22/h4-13H,14H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine?
4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine has a molecular weight of 355.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine is sourced from PubChem (CID 29057238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).