[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine

C14H15N3O2 — CID 82482950

IUPAC[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine
SMILESCc1cc2c(cc1-c1ccnc(CN)n1)OCCO2
InChIInChI=1S/C14H15N3O2/c1-9-6-12-13(19-5-4-18-12)7-10(9)11-2-3-16-14(8-15)17-11/h2-3,6-7H,4-5,8,15H2,1H3
InChIKeyLVKGPHGIBNZVNB-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.68
Rot. Bonds2

About [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine

[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine (PubChem CID 82482950) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine
PubChem CID82482950
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine
SMILESCc1cc2c(cc1-c1ccnc(CN)n1)OCCO2
InChIInChI=1S/C14H15N3O2/c1-9-6-12-13(19-5-4-18-12)7-10(9)11-2-3-16-14(8-15)17-11/h2-3,6-7H,4-5,8,15H2,1H3
InChIKeyLVKGPHGIBNZVNB-UHFFFAOYSA-N
XLogP1.68
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine 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-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
[4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-2-yl]methanamine
CID 116892370
[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methanamine
CID 82477561
2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine
CID 82484043
[2-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-4-yl]methanamine
CID 116857676
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
CID 84711190
13,16-dioxa-2,4,6-triazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3,5,7,9,11,17-heptaen-5-ylmethanamine
CID 84640681
4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline
CID 66970372
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892108
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-thiol
CID 116889667

Frequently Asked Questions

What is the IUPAC name of [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine (CID 82482950) is [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine is Cc1cc2c(cc1-c1ccnc(CN)n1)OCCO2.
What is the InChIKey of [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine?
The InChIKey is LVKGPHGIBNZVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-6-12-13(19-5-4-18-12)7-10(9)11-2-3-16-14(8-15)17-11/h2-3,6-7H,4-5,8,15H2,1H3.
What are the key properties of [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine?
[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine has a molecular weight of 257.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 82482950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).