5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine

C14H15N3O2 — CID 124755755

IUPAC5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine
SMILESNc1ncc(CC[C@@H]2COc3ccccc3O2)cn1
InChIInChI=1S/C14H15N3O2/c15-14-16-7-10(8-17-14)5-6-11-9-18-12-3-1-2-4-13(12)19-11/h1-4,7-8,11H,5-6,9H2,(H2,15,16,17)/t11-/m1/s1
InChIKeyRCTLEZURSWZPBL-LLVKDONJSA-N
MW257.29 g/mol
LogP1.83
Rot. Bonds3

About 5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine

5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine (PubChem CID 124755755) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine
PubChem CID124755755
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine
SMILESNc1ncc(CC[C@@H]2COc3ccccc3O2)cn1
InChIInChI=1S/C14H15N3O2/c15-14-16-7-10(8-17-14)5-6-11-9-18-12-3-1-2-4-13(12)19-11/h1-4,7-8,11H,5-6,9H2,(H2,15,16,17)/t11-/m1/s1
InChIKeyRCTLEZURSWZPBL-LLVKDONJSA-N
XLogP1.83
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 72938000
(E)-3-(2-aminopyrimidin-5-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]prop-2-enamide
CID 131915655
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]benzenesulfonic acid
CID 88633200
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477
4-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N,N-dimethylbenzamide
CID 124758347
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)pyridin-3-amine
CID 43301150
4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-fluoropyrimidine-2,4-diamine
CID 11460065
2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methoxypyrazine
CID 91836725
2-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-methoxypyrazine
CID 124758709
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 91787068

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine (CID 124755755) is 5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine is Nc1ncc(CC[C@@H]2COc3ccccc3O2)cn1.
What is the InChIKey of 5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine?
The InChIKey is RCTLEZURSWZPBL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-14-16-7-10(8-17-14)5-6-11-9-18-12-3-1-2-4-13(12)19-11/h1-4,7-8,11H,5-6,9H2,(H2,15,16,17)/t11-/m1/s1.
What are the key properties of 5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine?
5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 124755755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).