N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine

C14H15N3O3 — CID 17459236

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2COc3ccccc3O2)n1
InChIInChI=1S/C14H15N3O3/c1-18-13-6-7-15-14(17-13)16-8-10-9-19-11-4-2-3-5-12(11)20-10/h2-7,10H,8-9H2,1H3,(H,15,16,17)
InChIKeyBIQYTYZAYMDUFF-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.74
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine (PubChem CID 17459236) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
PubChem CID17459236
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2COc3ccccc3O2)n1
InChIInChI=1S/C14H15N3O3/c1-18-13-6-7-15-14(17-13)16-8-10-9-19-11-4-2-3-5-12(11)20-10/h2-7,10H,8-9H2,1H3,(H,15,16,17)
InChIKeyBIQYTYZAYMDUFF-UHFFFAOYSA-N
XLogP1.74
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 104772335
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-pyrimidin-2-ylethane-1,2-diamine
CID 10731942
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 97192688
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxyethanamine
CID 60719601
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(isoquinolin-1-ylmethyl)-2-methylguanidine
CID 111270043
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 97434392
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 166196115
4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
CID 112698618
N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine (CID 17459236) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine is COc1ccnc(NCC2COc3ccccc3O2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is BIQYTYZAYMDUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-18-13-6-7-15-14(17-13)16-8-10-9-19-11-4-2-3-5-12(11)20-10/h2-7,10H,8-9H2,1H3,(H,15,16,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 17459236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).