N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine

C13H16F3N3 — CID 142147294

IUPACN-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine
SMILESCC/C=C(\N=C\CC)c1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3/c1-4-6-10(17-7-5-2)12-18-9(3)8-11(19-12)13(14,15)16/h6-8H,4-5H2,1-3H3/b10-6-,17-7+
InChIKeyUCXVWJMXQCZXRR-NJLUTUHGSA-N
MW271.29 g/mol
LogP4.04
Rot. Bonds4

About N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine

N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine (PubChem CID 142147294) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine
PubChem CID142147294
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC NameN-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine
SMILESCC/C=C(\N=C\CC)c1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H16F3N3/c1-4-6-10(17-7-5-2)12-18-9(3)8-11(19-12)13(14,15)16/h6-8H,4-5H2,1-3H3/b10-6-,17-7+
InChIKeyUCXVWJMXQCZXRR-NJLUTUHGSA-N
XLogP4.04
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine
CID 58549929
2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 59096535
N,2-dimethyl-6-(trifluoromethyl)pyridin-4-amine
CID 82404221
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide
CID 131892619
[(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol
CID 138020158
2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine
CID 63321275
N,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-amine
CID 146493978
4-(2-fluorobutan-2-yl)-2,6-dimethylpyrimidine
CID 86020571
4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82191941
4-methyl-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 122059072
N,2-dimethyl-6-(trifluoromethyl)pyridine-4-carboxamide
CID 176676959
ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate
CID 56871621

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine?
The IUPAC name of N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine (CID 142147294) is N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine.
What is the SMILES notation for N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine?
The canonical SMILES for N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine is CC/C=C(\N=C\CC)c1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine?
The InChIKey is UCXVWJMXQCZXRR-NJLUTUHGSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-4-6-10(17-7-5-2)12-18-9(3)8-11(19-12)13(14,15)16/h6-8H,4-5H2,1-3H3/b10-6-,17-7+.
What are the key properties of N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine?
N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine has a molecular weight of 271.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]but-1-enyl]propan-1-imine is sourced from PubChem (CID 142147294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).