3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine

C13H21N3OS — CID 64634495

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1Sc1nc(C)cc(C)n1
InChIInChI=1S/C13H21N3OS/c1-4-14-11-5-6-17-8-12(11)18-13-15-9(2)7-10(3)16-13/h7,11-12,14H,4-6,8H2,1-3H3
InChIKeyCFDRIYPBMGWMMJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.95
Rot. Bonds4

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine (PubChem CID 64634495) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine
PubChem CID64634495
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1Sc1nc(C)cc(C)n1
InChIInChI=1S/C13H21N3OS/c1-4-14-11-5-6-17-8-12(11)18-13-15-9(2)7-10(3)16-13/h7,11-12,14H,4-6,8H2,1-3H3
InChIKeyCFDRIYPBMGWMMJ-UHFFFAOYSA-N
XLogP1.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine (CID 64634495) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine is CCNC1CCOCC1Sc1nc(C)cc(C)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine?
The InChIKey is CFDRIYPBMGWMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-14-11-5-6-17-8-12(11)18-13-15-9(2)7-10(3)16-13/h7,11-12,14H,4-6,8H2,1-3H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine has a molecular weight of 267.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine is sourced from PubChem (CID 64634495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).