N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C17H16F3N5O — CID 42635093

IUPACN-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1nn(C)c(C)c1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
InChIInChI=1S/C17H16F3N5O/c1-10-16(11(2)25(3)24-10)14-8-15(22-9-21-14)23-12-4-6-13(7-5-12)26-17(18,19)20/h4-9H,1-3H3,(H,21,22,23)
InChIKeyIMJXOERPCNYXHG-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.14
Rot. Bonds4

About N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 42635093) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID42635093
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCc1nn(C)c(C)c1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
InChIInChI=1S/C17H16F3N5O/c1-10-16(11(2)25(3)24-10)14-8-15(22-9-21-14)23-12-4-6-13(7-5-12)26-17(18,19)20/h4-9H,1-3H3,(H,21,22,23)
InChIKeyIMJXOERPCNYXHG-UHFFFAOYSA-N
XLogP4.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[7-(4-methoxyphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
CID 4905403
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
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
(10) 1H-1,2,4-triazol-3-yl-anilines 4-F3CO(C6H4) 4-Pyridine
CID 57339841
N-(5-Methyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-(4-(trifluoromethyl)phenoxy)pyrimidin-4-amine (15h)
CID 91970523
N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine
CID 137551961
N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 522990
5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1460771
N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263415
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866545

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 42635093) is N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is Cc1nn(C)c(C)c1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is IMJXOERPCNYXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-10-16(11(2)25(3)24-10)14-8-15(22-9-21-14)23-12-4-6-13(7-5-12)26-17(18,19)20/h4-9H,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 363.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 42635093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).