5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine

C19H18F2N6 — CID 162609338

IUPAC5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine
SMILES[H]/N=C/n1c(N)c(-c2cc(C)nc(C(F)F)c2)c(-c2ccc(C)cc2)n/c1=N\[H]
InChIInChI=1S/C19H18F2N6/c1-10-3-5-12(6-4-10)16-15(18(23)27(9-22)19(24)26-16)13-7-11(2)25-14(8-13)17(20)21/h3-9,17,22,24H,23H2,1-2H3/b22-9+,24-19+
InChIKeyZTPJELOPOIGHKK-JUASWVLJSA-N
MW368.39 g/mol
LogP3.68
Rot. Bonds4

About 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine

5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 162609338) has the molecular formula C19H18F2N6 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine
PubChem CID162609338
Molecular FormulaC19H18F2N6
Molecular Weight368.39 g/mol
Exact Mass368.16
IUPAC Name5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine
SMILES[H]/N=C/n1c(N)c(-c2cc(C)nc(C(F)F)c2)c(-c2ccc(C)cc2)n/c1=N\[H]
InChIInChI=1S/C19H18F2N6/c1-10-3-5-12(6-4-10)16-15(18(23)27(9-22)19(24)26-16)13-7-11(2)25-14(8-13)17(20)21/h3-9,17,22,24H,23H2,1-2H3/b22-9+,24-19+
InChIKeyZTPJELOPOIGHKK-JUASWVLJSA-N
XLogP3.68
TPSA104.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine
CID 168893304
lithium 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate
CID 153393409
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
1-[2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl]-2-oxopyridine-3-carboxylic acid
CID 162480886
2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyethyl carbamate
CID 175094135
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
5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-[(1-methylsulfinylimidazol-2-yl)methoxy]pyrimidin-2-amine
CID 153393514
2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine
CID 153393322
2-(difluoromethyl)-6-methylpyridin-4-amine
CID 118295521

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine (CID 162609338) is 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine is [H]/N=C/n1c(N)c(-c2cc(C)nc(C(F)F)c2)c(-c2ccc(C)cc2)n/c1=N\[H].
What is the InChIKey of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is ZTPJELOPOIGHKK-JUASWVLJSA-N. The full InChI is InChI=1S/C19H18F2N6/c1-10-3-5-12(6-4-10)16-15(18(23)27(9-22)19(24)26-16)13-7-11(2)25-14(8-13)17(20)21/h3-9,17,22,24H,23H2,1-2H3/b22-9+,24-19+.
What are the key properties of 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine?
5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 368.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-2-imino-3-methanimidoyl-6-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 162609338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).