(5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one

C13H14N4O2 — CID 906702

IUPAC(5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccc([C@H]2NC(=O)c3c(cnn3C)N2)cc1
InChIInChI=1S/C13H14N4O2/c1-17-11-10(7-14-17)15-12(16-13(11)18)8-3-5-9(19-2)6-4-8/h3-7,12,15H,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyVYKWQEVUJOSUQC-GFCCVEGCSA-N
MW258.28 g/mol
LogP1.28
Rot. Bonds2

About (5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one

(5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 906702) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is (5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID906702
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name(5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccc([C@H]2NC(=O)c3c(cnn3C)N2)cc1
InChIInChI=1S/C13H14N4O2/c1-17-11-10(7-14-17)15-12(16-13(11)18)8-3-5-9(19-2)6-4-8/h3-7,12,15H,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyVYKWQEVUJOSUQC-GFCCVEGCSA-N
XLogP1.28
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenoxy)-2-methylpyridazin-3-one
CID 10561535
(2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 95157848
6-(4-methoxyphenyl)-1,2,4,5-tetrazinan-3-one
CID 24829281
5-chloro-2-(4-methoxyphenyl)-3-methyl-1,2-dihydropyrimidin-6-one
CID 23315754
5,9-bis(4-methoxyphenyl)-2,4,6,10,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),11,13,15-pentaen-7-one
CID 137081591
5-(4-methoxyphenyl)-1-methylpyrazol-4-amine
CID 28803590
(5R)-5-(4-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 931606
(5S)-5-(4-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 931607
(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 7288086
(2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 35957655
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3-methyl-4-oxo-1,2-dihydroquinazolin-6-yl]methyl]-3-methyl-1,2-dihydroquinazolin-4-one
CID 11017075

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of (5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one (CID 906702) is (5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for (5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one is COc1ccc([C@H]2NC(=O)c3c(cnn3C)N2)cc1.
What is the InChIKey of (5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is VYKWQEVUJOSUQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17-11-10(7-14-17)15-12(16-13(11)18)8-3-5-9(19-2)6-4-8/h3-7,12,15H,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one?
(5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 258.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methoxyphenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 906702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).