6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H19N5O — CID 24911839

IUPAC6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc(-c2ccc(CN3CCc4nc(-c5cncnc5)ncc4C3)o2)cc1
InChIInChI=1S/C22H19N5O/c1-2-4-16(5-3-1)21-7-6-19(28-21)14-27-9-8-20-18(13-27)12-25-22(26-20)17-10-23-15-24-11-17/h1-7,10-12,15H,8-9,13-14H2
InChIKeyIQUFMXLUUSJGKT-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.75
Rot. Bonds4

About 6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911839) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911839
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc(-c2ccc(CN3CCc4nc(-c5cncnc5)ncc4C3)o2)cc1
InChIInChI=1S/C22H19N5O/c1-2-4-16(5-3-1)21-7-6-19(28-21)14-27-9-8-20-18(13-27)12-25-22(26-20)17-10-23-15-24-11-17/h1-7,10-12,15H,8-9,13-14H2
InChIKeyIQUFMXLUUSJGKT-UHFFFAOYSA-N
XLogP3.75
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911839) is 6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ccc(-c2ccc(CN3CCc4nc(-c5cncnc5)ncc4C3)o2)cc1.
What is the InChIKey of 6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IQUFMXLUUSJGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-2-4-16(5-3-1)21-7-6-19(28-21)14-27-9-8-20-18(13-27)12-25-22(26-20)17-10-23-15-24-11-17/h1-7,10-12,15H,8-9,13-14H2.
What are the key properties of 6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 369.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).