4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine

C16H14F3N5O — CID 69085770

IUPAC4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2cnn(-c3ccccc3)c2C)ncc1C(F)(F)F
InChIInChI=1S/C16H14F3N5O/c1-10-13(9-21-24(10)11-6-4-3-5-7-11)22-15-20-8-12(16(17,18)19)14(23-15)25-2/h3-9H,1-2H3,(H,20,22,23)
InChIKeyFEHNRYWQSUXWMJ-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.74
Rot. Bonds4

About 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine

4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 69085770) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID69085770
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2cnn(-c3ccccc3)c2C)ncc1C(F)(F)F
InChIInChI=1S/C16H14F3N5O/c1-10-13(9-21-24(10)11-6-4-3-5-7-11)22-15-20-8-12(16(17,18)19)14(23-15)25-2/h3-9H,1-2H3,(H,20,22,23)
InChIKeyFEHNRYWQSUXWMJ-UHFFFAOYSA-N
XLogP3.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 166596229
4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 172680342
N-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 90988497
2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 118908133
5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 69084480
N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 123660110
methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
CID 118969872
5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
CID 121221051
2-[[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
CID 175129143
2-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 145419887
2-N-[1-[(2R)-1-methoxybut-3-en-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 126536023
4-heptan-4-yloxy-N-(2-methoxy-5-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 145190817

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 69085770) is 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine is COc1nc(Nc2cnn(-c3ccccc3)c2C)ncc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FEHNRYWQSUXWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-10-13(9-21-24(10)11-6-4-3-5-7-11)22-15-20-8-12(16(17,18)19)14(23-15)25-2/h3-9H,1-2H3,(H,20,22,23).
What are the key properties of 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 349.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 69085770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).