N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine

C20H16N4O — CID 3314360

IUPACN-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NCc3ccco3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H16N4O/c1-2-7-15(8-3-1)18-13-19(22-14-16-9-6-12-25-16)24-20(23-18)17-10-4-5-11-21-17/h1-13H,14H2,(H,22,23,24)
InChIKeyMLBIXHJEQYIEEW-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.41
Rot. Bonds5

About N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine

N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 3314360) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID3314360
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NCc3ccco3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H16N4O/c1-2-7-15(8-3-1)18-13-19(22-14-16-9-6-12-25-16)24-20(23-18)17-10-4-5-11-21-17/h1-13H,14H2,(H,22,23,24)
InChIKeyMLBIXHJEQYIEEW-UHFFFAOYSA-N
XLogP4.41
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 4126935
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936733
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 4099468
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
N-(furan-2-ylmethyl)-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 3657838
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687
2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933719
2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936767
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936763

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine (CID 3314360) is N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine is c1ccc(-c2cc(NCc3ccco3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is MLBIXHJEQYIEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-2-7-15(8-3-1)18-13-19(22-14-16-9-6-12-25-16)24-20(23-18)17-10-4-5-11-21-17/h1-13H,14H2,(H,22,23,24).
What are the key properties of N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 328.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 3314360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).