4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine

C17H20F3N5 — CID 4099295

IUPAC4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine
SMILESCC(C)c1nc(NN=Cc2ccccc2C(F)(F)F)cc(N(C)C)n1
InChIInChI=1S/C17H20F3N5/c1-11(2)16-22-14(9-15(23-16)25(3)4)24-21-10-12-7-5-6-8-13(12)17(18,19)20/h5-11H,1-4H3,(H,22,23,24)
InChIKeyLNFREYHGVINPMI-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.13
Rot. Bonds5

About 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine (PubChem CID 4099295) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine
PubChem CID4099295
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC Name4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine
SMILESCC(C)c1nc(NN=Cc2ccccc2C(F)(F)F)cc(N(C)C)n1
InChIInChI=1S/C17H20F3N5/c1-11(2)16-22-14(9-15(23-16)25(3)4)24-21-10-12-7-5-6-8-13(12)17(18,19)20/h5-11H,1-4H3,(H,22,23,24)
InChIKeyLNFREYHGVINPMI-UHFFFAOYSA-N
XLogP4.13
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136690171
6-N-phenyl-2-N,4-N-bis[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-2,4,6-triamine
CID 139976380
6-N-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 4589206
4-[5-[[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3654905
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935
2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6291151
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 9060609
4-methyl-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520022
4-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135483293
6-N-[(Z)-[1-[2-(4-cyclohexylphenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 6057046
N,N-diethyl-6-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4539634
6-N-(2-methylphenyl)-5-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3099893

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine (CID 4099295) is 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine is CC(C)c1nc(NN=Cc2ccccc2C(F)(F)F)cc(N(C)C)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine?
The InChIKey is LNFREYHGVINPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5/c1-11(2)16-22-14(9-15(23-16)25(3)4)24-21-10-12-7-5-6-8-13(12)17(18,19)20/h5-11H,1-4H3,(H,22,23,24).
What are the key properties of 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine has a molecular weight of 351.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine is sourced from PubChem (CID 4099295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).