2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine

C12H10ClN3O2 — CID 55063355

IUPAC2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(-c2cc(Cl)c3c(c2)OCO3)n1
InChIInChI=1S/C12H10ClN3O2/c1-6-2-10(14)16-12(15-6)7-3-8(13)11-9(4-7)17-5-18-11/h2-4H,5H2,1H3,(H2,14,15,16)
InChIKeyUVLSFYBCHVVZDO-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.42
Rot. Bonds1

About 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine

2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine (PubChem CID 55063355) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine
PubChem CID55063355
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(-c2cc(Cl)c3c(c2)OCO3)n1
InChIInChI=1S/C12H10ClN3O2/c1-6-2-10(14)16-12(15-6)7-3-8(13)11-9(4-7)17-5-18-11/h2-4H,5H2,1H3,(H2,14,15,16)
InChIKeyUVLSFYBCHVVZDO-UHFFFAOYSA-N
XLogP2.42
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine 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

6-tert-butyl-2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-amine
CID 62204219
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202057
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62915670
4,6-dichloro-2-(7-chloro-1,3-benzodioxol-5-yl)-5-ethylpyrimidine
CID 63613158
5-bromo-2-(7-chloro-1,3-benzodioxol-5-yl)-6-ethylpyrimidin-4-amine
CID 66296558
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320238
4-chloro-2-(7-chloro-1,3-benzodioxol-5-yl)-5-iodo-6-propan-2-ylpyrimidine
CID 66312270
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853
[2-(7-chloro-1,3-benzodioxol-5-yl)-6-propylpyrimidin-4-yl]hydrazine
CID 62251286
5-(7-chloro-1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazol-4-amine
CID 62224476
2-(7-bromo-1,3-benzodioxol-5-yl)-6-propan-2-ylpyrimidin-4-amine
CID 62204227
[2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidin-4-yl]hydrazine
CID 62250935

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine (CID 55063355) is 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine is Cc1cc(N)nc(-c2cc(Cl)c3c(c2)OCO3)n1.
What is the InChIKey of 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine?
The InChIKey is UVLSFYBCHVVZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-6-2-10(14)16-12(15-6)7-3-8(13)11-9(4-7)17-5-18-11/h2-4H,5H2,1H3,(H2,14,15,16).
What are the key properties of 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine?
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine has a molecular weight of 263.68 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 55063355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).