2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine

C15H14BrN3O2 — CID 66297835

IUPAC2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc3c(c2)OCO3)nc(C2CC2)c1Br
InChIInChI=1S/C15H14BrN3O2/c1-17-15-12(16)13(8-2-3-8)18-14(19-15)9-4-5-10-11(6-9)21-7-20-10/h4-6,8H,2-3,7H2,1H3,(H,17,18,19)
InChIKeyDOMRKCUNYADKQY-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.55
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine

2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 66297835) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID66297835
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc3c(c2)OCO3)nc(C2CC2)c1Br
InChIInChI=1S/C15H14BrN3O2/c1-17-15-12(16)13(8-2-3-8)18-14(19-15)9-4-5-10-11(6-9)21-7-20-10/h4-6,8H,2-3,7H2,1H3,(H,17,18,19)
InChIKeyDOMRKCUNYADKQY-UHFFFAOYSA-N
XLogP3.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-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

5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 66295717
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926
5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66302950
5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 115381230
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 62203655
5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79972059
5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66301720
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 107125379
5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
CID 107504375
[2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560457
5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79980128

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 66297835) is 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1nc(-c2ccc3c(c2)OCO3)nc(C2CC2)c1Br.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is DOMRKCUNYADKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-17-15-12(16)13(8-2-3-8)18-14(19-15)9-4-5-10-11(6-9)21-7-20-10/h4-6,8H,2-3,7H2,1H3,(H,17,18,19).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine?
2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 348.20 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66297835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).