4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine

C12H10N2O3 — CID 116903746

IUPAC4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine
SMILESCOc1nccc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C12H10N2O3/c1-15-12-13-5-4-9(14-12)8-2-3-10-11(6-8)17-7-16-10/h2-6H,7H2,1H3
InChIKeyWIGUIIHBEAJLTR-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.88
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine

4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine (PubChem CID 116903746) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine
PubChem CID116903746
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine
SMILESCOc1nccc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C12H10N2O3/c1-15-12-13-5-4-9(14-12)8-2-3-10-11(6-8)17-7-16-10/h2-6H,7H2,1H3
InChIKeyWIGUIIHBEAJLTR-UHFFFAOYSA-N
XLogP1.88
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine
CID 116903796
4-(1,3-benzodioxol-5-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171989236
4-(1,3-benzodioxol-5-yl)pyrimidine-2-carbaldehyde
CID 83918199
4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)pyrimidine
CID 116899243
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
2-methoxy-4-(6-methylnaphthalen-2-yl)pyrimidine
CID 116903843
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]acetic acid
CID 82483287
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-methylisoquinoline
CID 23296085
4-(3-amino-4-methoxyphenyl)-N-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 11724549
5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116903807
[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-(2-methylphenyl)methanone
CID 150347593

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine (CID 116903746) is 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine is COc1nccc(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine?
The InChIKey is WIGUIIHBEAJLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-15-12-13-5-4-9(14-12)8-2-3-10-11(6-8)17-7-16-10/h2-6H,7H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine?
4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine has a molecular weight of 230.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine is sourced from PubChem (CID 116903746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).