(6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine

C17H16F3N7 — CID 168893304

IUPAC(6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n(N)/c2=N\N)cc(C(F)F)n1
InChIInChI=1S/C17H16F3N7/c1-8-6-10(7-12(24-8)15(19)20)13-14(9-2-4-11(18)5-3-9)25-17(21)27(23)16(13)26-22/h2-7,15H,22-23H2,1H3,(H2,21,25)/b26-16-
InChIKeyMVKFJQJCWMOLEI-QQXSKIMKSA-N
MW375.36 g/mol
LogP2.07
Rot. Bonds3

About (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine

(6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine (PubChem CID 168893304) has the molecular formula C17H16F3N7 and a molecular weight of 375.36 g/mol. Its IUPAC name is (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine.

Molecular Properties

Compound Name(6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine
PubChem CID168893304
Molecular FormulaC17H16F3N7
Molecular Weight375.36 g/mol
Exact Mass375.14
IUPAC Name(6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n(N)/c2=N\N)cc(C(F)F)n1
InChIInChI=1S/C17H16F3N7/c1-8-6-10(7-12(24-8)15(19)20)13-14(9-2-4-11(18)5-3-9)25-17(21)27(23)16(13)26-22/h2-7,15H,22-23H2,1H3,(H2,21,25)/b26-16-
InChIKeyMVKFJQJCWMOLEI-QQXSKIMKSA-N
XLogP2.07
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine with MolForge

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Related Compounds

8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142427017
7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142427006
2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl carbamate
CID 175094135
lithium 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate
CID 153393409
5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]pyrimidin-2-amine
CID 153393174
5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-(1H-imidazol-2-ylmethoxy)pyrimidin-2-amine
CID 153393123
5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 153393430
4-(1,3-benzothiazol-2-ylmethoxy)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine
CID 153393515
1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol
CID 162480989
5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[2-[[(4R)-4-methyl-1,3-oxazolidin-2-ylidene]amino]ethoxy]pyrimidin-2-amine
CID 166843253
1-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxy-3-(1-methylpiperidin-4-yl)propan-2-one
CID 163871782
5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine
CID 153393514

Frequently Asked Questions

What is the IUPAC name of (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine?
The IUPAC name of (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine (CID 168893304) is (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine.
What is the SMILES notation for (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine?
The canonical SMILES for (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n(N)/c2=N\N)cc(C(F)F)n1.
What is the InChIKey of (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine?
The InChIKey is MVKFJQJCWMOLEI-QQXSKIMKSA-N. The full InChI is InChI=1S/C17H16F3N7/c1-8-6-10(7-12(24-8)15(19)20)13-14(9-2-4-11(18)5-3-9)25-17(21)27(23)16(13)26-22/h2-7,15H,22-23H2,1H3,(H2,21,25)/b26-16-.
What are the key properties of (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine?
(6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine has a molecular weight of 375.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine is sourced from PubChem (CID 168893304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).