2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C17H20F3N5 — CID 174322249

IUPAC2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESC/C=C\n1c(/C=C/CC)ccc1Nc1ncc(C(F)(F)F)c(NC)n1
InChIInChI=1S/C17H20F3N5/c1-4-6-7-12-8-9-14(25(12)10-5-2)23-16-22-11-13(17(18,19)20)15(21-3)24-16/h5-11H,4H2,1-3H3,(H2,21,22,23,24)/b7-6+,10-5-
InChIKeyAQEKNCBIUCHKEM-BAGHCZIJSA-N
MW351.38 g/mol
LogP5.00
Rot. Bonds6

About 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 174322249) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID174322249
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC Name2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESC/C=C\n1c(/C=C/CC)ccc1Nc1ncc(C(F)(F)F)c(NC)n1
InChIInChI=1S/C17H20F3N5/c1-4-6-7-12-8-9-14(25(12)10-5-2)23-16-22-11-13(17(18,19)20)15(21-3)24-16/h5-11H,4H2,1-3H3,(H2,21,22,23,24)/b7-6+,10-5-
InChIKeyAQEKNCBIUCHKEM-BAGHCZIJSA-N
XLogP5.00
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[3-amino-2-methyl-4-[(Z)-pent-1-enyl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 174321508
4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 174917876
4-N-methyl-2-N-[1-methyl-5-(methylamino)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093300
4-N-methyl-2-N-[3-methyl-2-(methylamino)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 174321925
2-N-[1-[(2R)-1-iminobutan-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 174690375
2-[2-methanimidoyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]anilino]acetonitrile
CID 174320017
4-N-methyl-2-N-(1-methylindazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 171597629
4-N-methyl-2-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093451
methyl 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylbutanoate
CID 145419864
2-N-[1-[(2R)-1-methoxybut-3-en-2-yl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 126536023
[4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 143387728
4-N-methyl-2-N-[1-methyl-3-(7-methyl-5,6-dihydropyrrolo[1,2-a]imidazol-7-yl)pyrazol-5-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 135253692

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 174322249) is 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is C/C=C\n1c(/C=C/CC)ccc1Nc1ncc(C(F)(F)F)c(NC)n1.
What is the InChIKey of 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is AQEKNCBIUCHKEM-BAGHCZIJSA-N. The full InChI is InChI=1S/C17H20F3N5/c1-4-6-7-12-8-9-14(25(12)10-5-2)23-16-22-11-13(17(18,19)20)15(21-3)24-16/h5-11H,4H2,1-3H3,(H2,21,22,23,24)/b7-6+,10-5-.
What are the key properties of 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 351.38 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-[(E)-but-1-enyl]-1-[(Z)-prop-1-enyl]pyrrol-2-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174322249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).