2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one

C24H23N5O3 — CID 3233418

IUPAC2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
SMILESCOc1cccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)c1
InChIInChI=1S/C24H23N5O3/c1-31-18-10-5-9-17(13-18)26-24-25-14-20-22(28-24)29(15-19-11-6-12-32-19)23(30)21(27-20)16-7-3-2-4-8-16/h2-5,7-10,13-14,19H,6,11-12,15H2,1H3,(H,25,26,28)/t19-/m1/s1
InChIKeyYUUJFZVJTACOIK-LJQANCHMSA-N
MW429.48 g/mol
LogP3.78
Rot. Bonds6

About 2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one

2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one (PubChem CID 3233418) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one.

Molecular Properties

Compound Name2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
PubChem CID3233418
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
SMILESCOc1cccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)c1
InChIInChI=1S/C24H23N5O3/c1-31-18-10-5-9-17(13-18)26-24-25-14-20-22(28-24)29(15-19-11-6-12-32-19)23(30)21(27-20)16-7-3-2-4-8-16/h2-5,7-10,13-14,19H,6,11-12,15H2,1H3,(H,25,26,28)/t19-/m1/s1
InChIKeyYUUJFZVJTACOIK-LJQANCHMSA-N
XLogP3.78
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233794
2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
CID 3233469
2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
CID 3234766
8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one
CID 3235426
2-(dimethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3232699
N-(3-methoxyphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 2275328
2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3234630
2-(4-methoxyphenoxy)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234609
6-(4-fluorophenyl)-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234605
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233097
N-(3-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
CID 6622950

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one?
The IUPAC name of 2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one (CID 3233418) is 2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one.
What is the SMILES notation for 2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one?
The canonical SMILES for 2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one is COc1cccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one?
The InChIKey is YUUJFZVJTACOIK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-31-18-10-5-9-17(13-18)26-24-25-14-20-22(28-24)29(15-19-11-6-12-32-19)23(30)21(27-20)16-7-3-2-4-8-16/h2-5,7-10,13-14,19H,6,11-12,15H2,1H3,(H,25,26,28)/t19-/m1/s1.
What are the key properties of 2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one?
2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one has a molecular weight of 429.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one is sourced from PubChem (CID 3233418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).