(5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol

C14H13N3O2 — CID 30772666

IUPAC(5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol
SMILESCOc1ccc2c(c1)c(CO)cn2-c1ncccn1
InChIInChI=1S/C14H13N3O2/c1-19-11-3-4-13-12(7-11)10(9-18)8-17(13)14-15-5-2-6-16-14/h2-8,18H,9H2,1H3
InChIKeyBGMXNFVFQPEDPW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.92
Rot. Bonds3

About (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol

(5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol (PubChem CID 30772666) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol
PubChem CID30772666
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol
SMILESCOc1ccc2c(c1)c(CO)cn2-c1ncccn1
InChIInChI=1S/C14H13N3O2/c1-19-11-3-4-13-12(7-11)10(9-18)8-17(13)14-15-5-2-6-16-14/h2-8,18H,9H2,1H3
InChIKeyBGMXNFVFQPEDPW-UHFFFAOYSA-N
XLogP1.92
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol?
The IUPAC name of (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol (CID 30772666) is (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol.
What is the SMILES notation for (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol?
The canonical SMILES for (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol is COc1ccc2c(c1)c(CO)cn2-c1ncccn1.
What is the InChIKey of (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol?
The InChIKey is BGMXNFVFQPEDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-11-3-4-13-12(7-11)10(9-18)8-17(13)14-15-5-2-6-16-14/h2-8,18H,9H2,1H3.
What are the key properties of (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol?
(5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol has a molecular weight of 255.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-pyrimidin-2-ylindol-3-yl)methanol is sourced from PubChem (CID 30772666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).