6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine

C24H19N5O — CID 112881208

IUPAC6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESc1ccc(-c2nc(NCc3ccco3)cc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C24H19N5O/c1-2-7-18(8-3-1)24-28-21(26-16-19-11-6-14-30-19)15-22(29-24)27-20-12-4-9-17-10-5-13-25-23(17)20/h1-15H,16H2,(H2,26,27,28,29)
InChIKeyNCOBODBFQNEAQM-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.64
Rot. Bonds6

About 6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine

6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine (PubChem CID 112881208) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
PubChem CID112881208
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESc1ccc(-c2nc(NCc3ccco3)cc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C24H19N5O/c1-2-7-18(8-3-1)24-28-21(26-16-19-11-6-14-30-19)15-22(29-24)27-20-12-4-9-17-10-5-13-25-23(17)20/h1-15H,16H2,(H2,26,27,28,29)
InChIKeyNCOBODBFQNEAQM-UHFFFAOYSA-N
XLogP5.64
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112858694
3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112947490
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
3-[[6-(furan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881212
4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880164
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
N-[3-[[6-(furan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112881203
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 4099468
N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 4126935
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine (CID 112881208) is 6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine is c1ccc(-c2nc(NCc3ccco3)cc(Nc3cccc4cccnc34)n2)cc1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The InChIKey is NCOBODBFQNEAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-2-7-18(8-3-1)24-28-21(26-16-19-11-6-14-30-19)15-22(29-24)27-20-12-4-9-17-10-5-13-25-23(17)20/h1-15H,16H2,(H2,26,27,28,29).
What are the key properties of 6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine has a molecular weight of 393.45 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112881208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).