1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine

C18H21F3N4 — CID 171999350

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
SMILESCc1cc(N2CC(N(C)Cc3ccccc3C(F)(F)F)C2)nc(C)n1
InChIInChI=1S/C18H21F3N4/c1-12-8-17(23-13(2)22-12)25-10-15(11-25)24(3)9-14-6-4-5-7-16(14)18(19,20)21/h4-8,15H,9-11H2,1-3H3
InChIKeyPLOYMGCWQSBRNZ-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.43
Rot. Bonds4

About 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine

1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine (PubChem CID 171999350) has the molecular formula C18H21F3N4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
PubChem CID171999350
Molecular FormulaC18H21F3N4
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
SMILESCc1cc(N2CC(N(C)Cc3ccccc3C(F)(F)F)C2)nc(C)n1
InChIInChI=1S/C18H21F3N4/c1-12-8-17(23-13(2)22-12)25-10-15(11-25)24(3)9-14-6-4-5-7-16(14)18(19,20)21/h4-8,15H,9-11H2,1-3H3
InChIKeyPLOYMGCWQSBRNZ-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Revaprazan
CID 204104
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
4-(3-Piperidin-1-Ylpropyl)-6-[3-(Trifluoromethyl)phenyl]pyrimidine-2-Carbonitrile
CID 11516307
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
6-[3-(Methylamino)azetidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25101945
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523
N4,N4-Dimethyl-6-phenylpyrimidine-2,4-diamine
CID 677167
2-Pyrimidinamine, 4-phenyl-6-(1-piperidinyl)-
CID 879133
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1408942

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine (CID 171999350) is 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine is Cc1cc(N2CC(N(C)Cc3ccccc3C(F)(F)F)C2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The InChIKey is PLOYMGCWQSBRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4/c1-12-8-17(23-13(2)22-12)25-10-15(11-25)24(3)9-14-6-4-5-7-16(14)18(19,20)21/h4-8,15H,9-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine has a molecular weight of 350.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine is sourced from PubChem (CID 171999350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).