6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine

C19H12F3N5 — CID 112867081

IUPAC6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)c(F)c1F
InChIInChI=1S/C19H12F3N5/c20-12-6-7-13(18(22)17(12)21)26-15-9-16(25-10-24-15)27-14-5-1-3-11-4-2-8-23-19(11)14/h1-10H,(H2,24,25,26,27)
InChIKeyZQQZSWRHUCZODC-UHFFFAOYSA-N
MW367.33 g/mol
LogP4.93
Rot. Bonds4

About 6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine

6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112867081) has the molecular formula C19H12F3N5 and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
PubChem CID112867081
Molecular FormulaC19H12F3N5
Molecular Weight367.33 g/mol
Exact Mass367.10
IUPAC Name6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)c(F)c1F
InChIInChI=1S/C19H12F3N5/c20-12-6-7-13(18(22)17(12)21)26-15-9-16(25-10-24-15)27-14-5-1-3-11-4-2-8-23-19(11)14/h1-10H,(H2,24,25,26,27)
InChIKeyZQQZSWRHUCZODC-UHFFFAOYSA-N
XLogP4.93
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109359773
4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866573
4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866059
6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112865422
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109164848
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193
2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine
CID 43148647
6-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866920
6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859132

Frequently Asked Questions

What is the IUPAC name of 6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine (CID 112867081) is 6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is Fc1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)c(F)c1F.
What is the InChIKey of 6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is ZQQZSWRHUCZODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5/c20-12-6-7-13(18(22)17(12)21)26-15-9-16(25-10-24-15)27-14-5-1-3-11-4-2-8-23-19(11)14/h1-10H,(H2,24,25,26,27).
What are the key properties of 6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine?
6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 367.33 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112867081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).