2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine

C15H15N3O2S — CID 115479558

IUPAC2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine
SMILESNc1cc(Sc2ccc3c(c2)OCCO3)nc(C2CC2)n1
InChIInChI=1S/C15H15N3O2S/c16-13-8-14(18-15(17-13)9-1-2-9)21-10-3-4-11-12(7-10)20-6-5-19-11/h3-4,7-9H,1-2,5-6H2,(H2,16,17,18)
InChIKeyZQYOANHTANHZIB-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.86
Rot. Bonds3

About 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine

2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine (PubChem CID 115479558) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine
PubChem CID115479558
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine
SMILESNc1cc(Sc2ccc3c(c2)OCCO3)nc(C2CC2)n1
InChIInChI=1S/C15H15N3O2S/c16-13-8-14(18-15(17-13)9-1-2-9)21-10-3-4-11-12(7-10)20-6-5-19-11/h3-4,7-9H,1-2,5-6H2,(H2,16,17,18)
InChIKeyZQYOANHTANHZIB-UHFFFAOYSA-N
XLogP2.86
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80964212
[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine
CID 115478659
6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine
CID 80963140
2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine
CID 113221068
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)aniline
CID 115478293
4-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-propan-2-ylpyrimidine
CID 115478614
4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
CID 80951761
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769914
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-2-carboxylic acid
CID 115478234
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]ethanamine
CID 115478517
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-methylphenyl]ethanamine
CID 115479306

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine (CID 115479558) is 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine is Nc1cc(Sc2ccc3c(c2)OCCO3)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is ZQYOANHTANHZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-13-8-14(18-15(17-13)9-1-2-9)21-10-3-4-11-12(7-10)20-6-5-19-11/h3-4,7-9H,1-2,5-6H2,(H2,16,17,18).
What are the key properties of 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine?
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 301.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 115479558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).