5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine

C14H15N3O2 — CID 116977203

IUPAC5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(-c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C14H15N3O2/c1-9(2)17-14-15-6-11(7-16-14)10-3-4-12-13(5-10)19-8-18-12/h3-7,9H,8H2,1-2H3,(H,15,16,17)
InChIKeyZUDORTDJVWJDRV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.69
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine

5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 116977203) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID116977203
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(-c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C14H15N3O2/c1-9(2)17-14-15-6-11(7-16-14)10-3-4-12-13(5-10)19-8-18-12/h3-7,9H,8H2,1-2H3,(H,15,16,17)
InChIKeyZUDORTDJVWJDRV-UHFFFAOYSA-N
XLogP2.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-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-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
(2R,3S)-N-[5-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491856
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]amino]acetonitrile
CID 116975600
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-propan-2-yl-1H-pyrazol-3-amine
CID 63048823
4-(1,3-benzodioxol-5-yl)-2-methyl-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669156
4-(1,3-benzodioxol-5-yl)-5-propan-2-ylpyrimidine
CID 146252856
1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651339
5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine
CID 144787170
N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60854851
1-[3-(1,3-benzodioxol-5-yl)phenyl]-N-methylethanamine
CID 82540311
6-(1,3-benzodioxol-5-yl)pyridin-3-amine
CID 82394049
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine (CID 116977203) is 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1ncc(-c2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is ZUDORTDJVWJDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(2)17-14-15-6-11(7-16-14)10-3-4-12-13(5-10)19-8-18-12/h3-7,9H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine?
5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 116977203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).