5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C16H14F3N5O — CID 42635464

IUPAC5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1cnn(C)c1
InChIInChI=1S/C16H14F3N5O/c1-10-14(11-7-22-24(2)8-11)20-9-21-15(10)23-12-3-5-13(6-4-12)25-16(17,18)19/h3-9H,1-2H3,(H,20,21,23)
InChIKeySNTLJZCGWVXMHY-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.83
Rot. Bonds4

About 5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 42635464) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID42635464
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1cnn(C)c1
InChIInChI=1S/C16H14F3N5O/c1-10-14(11-7-22-24(2)8-11)20-9-21-15(10)23-12-3-5-13(6-4-12)25-16(17,18)19/h3-9H,1-2H3,(H,20,21,23)
InChIKeySNTLJZCGWVXMHY-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
2,4-Disubstituted Pyrimidine 2g
CID 5329420
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Mapk13-IN-1
CID 17941505
N-(4-ethoxyphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71595131
Pyrazolo[1,5-b]pyridazine deriv. 39
CID 6539381
Pyrazolo[1,5-b]pyridazine deriv. 40
CID 6539382
Pyrazolo[1,5-b]pyridazine deriv. 49
CID 6539391
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
(9) 1H-1,2,4-triazol-3-yl-anilines 3-F3CO(C6H4) 4-Pyridine
CID 57339840

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 42635464) is 5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1cnn(C)c1.
What is the InChIKey of 5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is SNTLJZCGWVXMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-10-14(11-7-22-24(2)8-11)20-9-21-15(10)23-12-3-5-13(6-4-12)25-16(17,18)19/h3-9H,1-2H3,(H,20,21,23).
What are the key properties of 5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 349.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 42635464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).