2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine

C10H10N2O — CID 162787671

IUPAC2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine
SMILESCOC1=CC=C(c2ncccn2)C1
InChIInChI=1S/C10H10N2O/c1-13-9-4-3-8(7-9)10-11-5-2-6-12-10/h2-6H,7H2,1H3
InChIKeyBOIVEVNGXBWBOC-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.79
Rot. Bonds2

About 2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine

2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine (PubChem CID 162787671) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine
PubChem CID162787671
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine
SMILESCOC1=CC=C(c2ncccn2)C1
InChIInChI=1S/C10H10N2O/c1-13-9-4-3-8(7-9)10-11-5-2-6-12-10/h2-6H,7H2,1H3
InChIKeyBOIVEVNGXBWBOC-UHFFFAOYSA-N
XLogP1.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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10-methoxytricyclo[5.4.1.04,12]dodeca-1(12),7,9-trien-2-one
CID 53310024
2-(2-methoxy-6-methylphenyl)pyrimidine
CID 166845053
4-methoxy-5-pyrimidin-2-yl-1,2-oxazole
CID 90694126
2-methoxy-3-pyrimidin-2-ylphenol
CID 90882512
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine
CID 20718034
2-methoxypyridine
CID 71774587
(4-methoxycyclohexa-1,3-dien-1-yl)methanethiol
CID 90961704
dichloropalladium;2-methoxypyridine
CID 174694369
[(5-methoxy-2-methylcyclohexa-2,4-dien-1-ylidene)amino] 4-methylbenzenesulfonate
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2-methoxypyridine;hydrobromide
CID 157413143

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine?
The IUPAC name of 2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine (CID 162787671) is 2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine?
The canonical SMILES for 2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine is COC1=CC=C(c2ncccn2)C1.
What is the InChIKey of 2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine?
The InChIKey is BOIVEVNGXBWBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-13-9-4-3-8(7-9)10-11-5-2-6-12-10/h2-6H,7H2,1H3.
What are the key properties of 2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine?
2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine has a molecular weight of 174.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclopenta-1,3-dien-1-yl)pyrimidine is sourced from PubChem (CID 162787671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).