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

C15H17N3O2 — CID 80946171

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H17N3O2/c1-2-3-15-17-11(9-14(16)18-15)10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,17,18)
InChIKeyVUODJPSZFKXKJD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.45
Rot. Bonds3

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

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine (PubChem CID 80946171) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
PubChem CID80946171
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H17N3O2/c1-2-3-15-17-11(9-14(16)18-15)10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,17,18)
InChIKeyVUODJPSZFKXKJD-UHFFFAOYSA-N
XLogP2.45
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
CID 80945275
6-(6-methyl-3-pyridinyl)-2-propylpyrimidin-4-amine
CID 80946075
6-(4-chloro-3-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80945813
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-propylpyrazol-5-amine
CID 43336721
2-propylpyrimidine-4,6-diamine
CID 67304918
6-(1-methylpyrazol-3-yl)-2-propylpyrimidin-4-amine
CID 103132092
6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine
CID 80946553
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
CID 43557667
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine
CID 62219055
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853
2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 116897223

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine (CID 80946171) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine?
The InChIKey is VUODJPSZFKXKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-3-15-17-11(9-14(16)18-15)10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,17,18).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).