4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine

C17H17F3N6 — CID 74767671

IUPAC4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine
SMILESCc1nn(C)c(C)c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H17F3N6/c1-9-15(10(2)26(3)25-9)16-23-13(21)8-14(24-16)22-12-6-4-11(5-7-12)17(18,19)20/h4-8H,1-3H3,(H3,21,22,23,24)
InChIKeyVLBOJXICWPZSSP-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.84
Rot. Bonds3

About 4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine

4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine (PubChem CID 74767671) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine
PubChem CID74767671
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine
SMILESCc1nn(C)c(C)c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H17F3N6/c1-9-15(10(2)26(3)25-9)16-23-13(21)8-14(24-16)22-12-6-4-11(5-7-12)17(18,19)20/h4-8H,1-3H3,(H3,21,22,23,24)
InChIKeyVLBOJXICWPZSSP-UHFFFAOYSA-N
XLogP3.84
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80919814
2-cyclopropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80956599
4-N-[4-(trifluoromethyl)phenyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 74767756
N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117079551
4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole
CID 102168707
6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914072
N-(4-morpholin-4-ylphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
CID 117080531
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
3-[[2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113193482
4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769991
4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80828137
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine (CID 74767671) is 4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine is Cc1nn(C)c(C)c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine?
The InChIKey is VLBOJXICWPZSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c1-9-15(10(2)26(3)25-9)16-23-13(21)8-14(24-16)22-12-6-4-11(5-7-12)17(18,19)20/h4-8H,1-3H3,(H3,21,22,23,24).
What are the key properties of 4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine?
4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine has a molecular weight of 362.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 74767671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).