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

C17H16F2N4O — CID 651086

IUPAC4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(C(F)F)nc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C17H16F2N4O/c1-10-8-11(2)23(22-10)17-20-14(9-15(21-17)16(18)19)12-4-6-13(24-3)7-5-12/h4-9,16H,1-3H3
InChIKeyDUOGQAVYHWVANM-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.89
Rot. Bonds4

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

4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine (PubChem CID 651086) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine
PubChem CID651086
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(C(F)F)nc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C17H16F2N4O/c1-10-8-11(2)23(22-10)17-20-14(9-15(21-17)16(18)19)12-4-6-13(24-3)7-5-12/h4-9,16H,1-3H3
InChIKeyDUOGQAVYHWVANM-UHFFFAOYSA-N
XLogP3.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138075
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138076
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476968
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
2-{[(3-Fluoro-4-methoxyphenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2508326
2-(2-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818819
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine (CID 651086) is 4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2cc(C(F)F)nc(-n3nc(C)cc3C)n2)cc1.
What is the InChIKey of 4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine?
The InChIKey is DUOGQAVYHWVANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-10-8-11(2)23(22-10)17-20-14(9-15(21-17)16(18)19)12-4-6-13(24-3)7-5-12/h4-9,16H,1-3H3.
What are the key properties of 4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine?
4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine has a molecular weight of 330.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 651086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).