2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine

C13H13N3O2 — CID 82293610

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine
SMILESNc1cnc(Cc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C13H13N3O2/c14-10-7-15-13(16-8-10)6-9-1-2-11-12(5-9)18-4-3-17-11/h1-2,5,7-8H,3-4,6,14H2
InChIKeyYHNVEVZTUBEQIF-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.42
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine

2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine (PubChem CID 82293610) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine
PubChem CID82293610
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine
SMILESNc1cnc(Cc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C13H13N3O2/c14-10-7-15-13(16-8-10)6-9-1-2-11-12(5-9)18-4-3-17-11/h1-2,5,7-8H,3-4,6,14H2
InChIKeyYHNVEVZTUBEQIF-UHFFFAOYSA-N
XLogP1.42
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-dimethylimidazole
CID 59037622
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-oxazol-5-amine
CID 75357494
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
2,3-dihydro-1,4-benzodioxin-6-ylmethyl(tritritiooxy)silane
CID 140826895
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 126825355
6-chloro-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrimidine-4,5-diamine
CID 63023407
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
CID 2724802
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80771958
5-bromo-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylimidazol-2-amine
CID 84611439

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine (CID 82293610) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine is Nc1cnc(Cc2ccc3c(c2)OCCO3)nc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine?
The InChIKey is YHNVEVZTUBEQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-10-7-15-13(16-8-10)6-9-1-2-11-12(5-9)18-4-3-17-11/h1-2,5,7-8H,3-4,6,14H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine has a molecular weight of 243.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidin-5-amine is sourced from PubChem (CID 82293610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).