2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine

C13H13N3O2 — CID 62202609

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H13N3O2/c1-14-12-4-5-15-13(16-12)9-2-3-10-11(8-9)18-7-6-17-10/h2-5,8H,6-7H2,1H3,(H,14,15,16)
InChIKeyWQWFIDOWBWYGOY-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.96
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine (PubChem CID 62202609) 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-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine
PubChem CID62202609
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H13N3O2/c1-14-12-4-5-15-13(16-12)9-2-3-10-11(8-9)18-7-6-17-10/h2-5,8H,6-7H2,1H3,(H,14,15,16)
InChIKeyWQWFIDOWBWYGOY-UHFFFAOYSA-N
XLogP1.96
TPSA56.27 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Diaveridine
CID 21453
GW-2580
CID 11617559
2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
CID 463109
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(phenylmethoxy)phenyl)methyl)-
CID 463124
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(2-propenyloxy)phenyl)methyl)-
CID 3078601
5-[[4-Methoxy-3-(phenylmethoxy)phenyl]methyl]-2,4-pyrimidinediamine
CID 11450525
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
CID 3234998
5-(4-(Benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-diamine
CID 11046337
2-(4-Butoxyphenyl)pyrimidin-5-amine
CID 604596
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
5-[[3-Ethoxy-4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 11234309
5-[3-Ethoxy-4-(3-phenoxy-propoxy)-benzyl]-pyrimidine-2,4-diamine
CID 11383848

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine (CID 62202609) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine is CNc1ccnc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine?
The InChIKey is WQWFIDOWBWYGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-14-12-4-5-15-13(16-12)9-2-3-10-11(8-9)18-7-6-17-10/h2-5,8H,6-7H2,1H3,(H,14,15,16).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 1.96, 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-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62202609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).