5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one

C14H13N3O2 — CID 116899433

IUPAC5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3ccnc(CO)n3)ccc21
InChIInChI=1S/C14H13N3O2/c1-17-12-3-2-9(6-10(12)7-14(17)19)11-4-5-15-13(8-18)16-11/h2-6,18H,7-8H2,1H3
InChIKeyXZXCOHUWHFHDSH-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.15
Rot. Bonds2

About 5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one

5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one (PubChem CID 116899433) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
PubChem CID116899433
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3ccnc(CO)n3)ccc21
InChIInChI=1S/C14H13N3O2/c1-17-12-3-2-9(6-10(12)7-14(17)19)11-4-5-15-13(8-18)16-11/h2-6,18H,7-8H2,1H3
InChIKeyXZXCOHUWHFHDSH-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile
CID 116900839
5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
CID 82387510
1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 60528907
5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
CID 9421508
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391
1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 9420001
3-(1-methyl-2-oxo-3H-indol-5-yl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82308194
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 17467764
N,N-dimethyl-5-(1-methyl-2-oxo-3H-indol-5-yl)pyridine-3-carboxamide
CID 66793912
4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 82300289
2-methyl-4-(1-methyl-2-oxo-3H-indol-5-yl)-1H-imidazole-5-carboxylic acid
CID 82306063

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one (CID 116899433) is 5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(-c3ccnc(CO)n3)ccc21.
What is the InChIKey of 5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one?
The InChIKey is XZXCOHUWHFHDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17-12-3-2-9(6-10(12)7-14(17)19)11-4-5-15-13(8-18)16-11/h2-6,18H,7-8H2,1H3.
What are the key properties of 5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one?
5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116899433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).