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

C18H19N5O2 — CID 3234655

IUPAC2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCc1nc2cnc(Nc3ccccc3)nc2n(C[C@H]2CCCO2)c1=O
InChIInChI=1S/C18H19N5O2/c1-12-17(24)23(11-14-8-5-9-25-14)16-15(20-12)10-19-18(22-16)21-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,19,21,22)/t14-/m1/s1
InChIKeyXNHDQBLZZGOOPG-CQSZACIVSA-N
MW337.38 g/mol
LogP2.42
Rot. Bonds4

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

2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3234655) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3234655
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCc1nc2cnc(Nc3ccccc3)nc2n(C[C@H]2CCCO2)c1=O
InChIInChI=1S/C18H19N5O2/c1-12-17(24)23(11-14-8-5-9-25-14)16-15(20-12)10-19-18(22-16)21-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,19,21,22)/t14-/m1/s1
InChIKeyXNHDQBLZZGOOPG-CQSZACIVSA-N
XLogP2.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3234655) is 2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is Cc1nc2cnc(Nc3ccccc3)nc2n(C[C@H]2CCCO2)c1=O.
What is the InChIKey of 2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is XNHDQBLZZGOOPG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-17(24)23(11-14-8-5-9-25-14)16-15(20-12)10-19-18(22-16)21-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,19,21,22)/t14-/m1/s1.
What are the key properties of 2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 337.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3234655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).