6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

C16H21N5O3 — CID 3233955

IUPAC6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCc1nc2cnc(N3CCOCC3)nc2n(C[C@H]2CCCO2)c1=O
InChIInChI=1S/C16H21N5O3/c1-11-15(22)21(10-12-3-2-6-24-12)14-13(18-11)9-17-16(19-14)20-4-7-23-8-5-20/h9,12H,2-8,10H2,1H3/t12-/m1/s1
InChIKeyRMPQQCSZNPBIJW-GFCCVEGCSA-N
MW331.38 g/mol
LogP0.51
Rot. Bonds3

About 6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3233955) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3233955
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCc1nc2cnc(N3CCOCC3)nc2n(C[C@H]2CCCO2)c1=O
InChIInChI=1S/C16H21N5O3/c1-11-15(22)21(10-12-3-2-6-24-12)14-13(18-11)9-17-16(19-14)20-4-7-23-8-5-20/h9,12H,2-8,10H2,1H3/t12-/m1/s1
InChIKeyRMPQQCSZNPBIJW-GFCCVEGCSA-N
XLogP0.51
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3233955) is 6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is Cc1nc2cnc(N3CCOCC3)nc2n(C[C@H]2CCCO2)c1=O.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is RMPQQCSZNPBIJW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-15(22)21(10-12-3-2-6-24-12)14-13(18-11)9-17-16(19-14)20-4-7-23-8-5-20/h9,12H,2-8,10H2,1H3/t12-/m1/s1.
What are the key properties of 6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 331.38 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3233955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).