(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

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Related Compounds

Cgp-77675
CID 5311381
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
5-[(1E)-(methoxyimino)methyl]-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646050
3-[4-Amino-7-[4-[2-(2-hydroxyethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 44565861
1-[(3-Methoxyphenyl)methyl]-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168278046
8-methoxy-N,N,5-trimethyl-5H-pyrimido[5,4-b]indol-4-amine
CID 665544
N',N'-diethyl-N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)propane-1,3-diamine
CID 183282
N'-(8-Methoxy-4,5-dimethyl-5H-pyrido(4,3-b) indol-1-yl)-N,N-dimethylpropanediamine
CID 183287
N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
CID 197233
[3-[4-Amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methanol
CID 44381266
(3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)methanol
CID 44385116

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).