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

C18H15N5O — CID 112858694

IUPAC6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESc1coc(CNc2cc(Nc3cccc4cccnc34)ncn2)c1
InChIInChI=1S/C18H15N5O/c1-4-13-5-2-8-19-18(13)15(7-1)23-17-10-16(21-12-22-17)20-11-14-6-3-9-24-14/h1-10,12H,11H2,(H2,20,21,22,23)
InChIKeyVEFLXSIHYQYIHN-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.97
Rot. Bonds5

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

6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine (PubChem CID 112858694) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
PubChem CID112858694
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESc1coc(CNc2cc(Nc3cccc4cccnc34)ncn2)c1
InChIInChI=1S/C18H15N5O/c1-4-13-5-2-8-19-18(13)15(7-1)23-17-10-16(21-12-22-17)20-11-14-6-3-9-24-14/h1-10,12H,11H2,(H2,20,21,22,23)
InChIKeyVEFLXSIHYQYIHN-UHFFFAOYSA-N
XLogP3.97
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112881208
3-N-(furan-2-ylmethyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112947490
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264
6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859132
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858656
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112862636
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858634
4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858686
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112857696

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine (CID 112858694) is 6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine is c1coc(CNc2cc(Nc3cccc4cccnc34)ncn2)c1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The InChIKey is VEFLXSIHYQYIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-4-13-5-2-8-19-18(13)15(7-1)23-17-10-16(21-12-22-17)20-11-14-6-3-9-24-14/h1-10,12H,11H2,(H2,20,21,22,23).
What are the key properties of 6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine has a molecular weight of 317.35 g/mol, XLogP of 3.97, 5 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)-4-N-quinolin-8-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112858694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).