8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one

C25H24N4O3 — CID 3232690

IUPAC8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one
SMILESO=c1c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C25H24N4O3/c30-24-21(14-13-18-8-3-1-4-9-18)27-22-16-26-25(32-19-10-5-2-6-11-19)28-23(22)29(24)17-20-12-7-15-31-20/h1-6,8-11,16,20H,7,12-15,17H2/t20-/m1/s1
InChIKeyTYZHNEOHPTWTBO-HXUWFJFHSA-N
MW428.49 g/mol
LogP3.94
Rot. Bonds7

About 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one

8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3232690) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one
PubChem CID3232690
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one
SMILESO=c1c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1
InChIInChI=1S/C25H24N4O3/c30-24-21(14-13-18-8-3-1-4-9-18)27-22-16-26-25(32-19-10-5-2-6-11-19)28-23(22)29(24)17-20-12-7-15-31-20/h1-6,8-11,16,20H,7,12-15,17H2/t20-/m1/s1
InChIKeyTYZHNEOHPTWTBO-HXUWFJFHSA-N
XLogP3.94
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
2-(4-fluorophenyl)-6-morpholin-4-yl-3-(2-phenoxy-pyrimidin-4-yl)-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-one
CID 12991410
6-(4-Methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3234621
6-(3,5-Difluorophenyl)-8-(2-methoxyethyl)-2-(4-methoxyphenoxy)pteridin-7-one
CID 3232614
2-(Dimethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3232624
8-Cyclopropyl-2-methoxy-6-(4-methoxyphenyl)pteridin-7-one
CID 3232662
6-(4-Fluorophenyl)-8-[2-(2-methoxyphenyl)ethyl]pteridin-7-one
CID 3232713
3-(8-Methyl-7-oxo-2-phenoxypteridin-6-yl)benzonitrile
CID 3232735
8-[2-(2-Methoxyphenyl)ethyl]pteridin-7-one
CID 3232736
6-(4-Fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3232759
8-(2-Methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
CID 3232783

Frequently Asked Questions

What is the IUPAC name of 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one (CID 3232690) is 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one is O=c1c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1.
What is the InChIKey of 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is TYZHNEOHPTWTBO-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-24-21(14-13-18-8-3-1-4-9-18)27-22-16-26-25(32-19-10-5-2-6-11-19)28-23(22)29(24)17-20-12-7-15-31-20/h1-6,8-11,16,20H,7,12-15,17H2/t20-/m1/s1.
What are the key properties of 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one?
8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 428.49 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2R)-oxolan-2-yl]methyl]-2-phenoxy-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3232690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).