6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine

C19H14ClFN6 — CID 19144805

IUPAC6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)c(Cl)c2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C19H14ClFN6/c20-13-9-12(6-7-14(13)21)26-18-16(22)19(25-10-24-18)27-15-5-1-3-11-4-2-8-23-17(11)15/h1-10H,22H2,(H2,24,25,26,27)
InChIKeyBRSGOUYZMZTAQG-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.89
Rot. Bonds4

About 6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine

6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine (PubChem CID 19144805) has the molecular formula C19H14ClFN6 and a molecular weight of 380.81 g/mol. Its IUPAC name is 6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
PubChem CID19144805
Molecular FormulaC19H14ClFN6
Molecular Weight380.81 g/mol
Exact Mass380.10
IUPAC Name6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)c(Cl)c2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C19H14ClFN6/c20-13-9-12(6-7-14(13)21)26-18-16(22)19(25-10-24-18)27-15-5-1-3-11-4-2-8-23-17(11)15/h1-10H,22H2,(H2,24,25,26,27)
InChIKeyBRSGOUYZMZTAQG-UHFFFAOYSA-N
XLogP4.89
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144804
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144751
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
6-N-(3-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152959
4-N-(3-chloro-4-fluorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141993
6-N-(3-chloro-4-fluorophenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153096
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
4-N-(4-bromo-2-fluorophenyl)-6-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152905
N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide
CID 108530535
methyl 2-[[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 19146268

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine (CID 19144805) is 6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1Nc1cccc2cccnc12.
What is the InChIKey of 6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The InChIKey is BRSGOUYZMZTAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6/c20-13-9-12(6-7-14(13)21)26-18-16(22)19(25-10-24-18)27-15-5-1-3-11-4-2-8-23-17(11)15/h1-10H,22H2,(H2,24,25,26,27).
What are the key properties of 6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine has a molecular weight of 380.81 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).