3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine

C15H26N4S — CID 106445974

IUPAC3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(C2CSCCN2C)nc(C)c1CC(C)CN
InChIInChI=1S/C15H26N4S/c1-10(8-16)7-13-11(2)17-15(18-12(13)3)14-9-20-6-5-19(14)4/h10,14H,5-9,16H2,1-4H3
InChIKeyORBXGHLUSAQBLP-UHFFFAOYSA-N
MW294.47 g/mol
LogP1.95
Rot. Bonds4

About 3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine

3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 106445974) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID106445974
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESCc1nc(C2CSCCN2C)nc(C)c1CC(C)CN
InChIInChI=1S/C15H26N4S/c1-10(8-16)7-13-11(2)17-15(18-12(13)3)14-9-20-6-5-19(14)4/h10,14H,5-9,16H2,1-4H3
InChIKeyORBXGHLUSAQBLP-UHFFFAOYSA-N
XLogP1.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
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-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine (CID 106445974) is 3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine is Cc1nc(C2CSCCN2C)nc(C)c1CC(C)CN.
What is the InChIKey of 3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is ORBXGHLUSAQBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-10(8-16)7-13-11(2)17-15(18-12(13)3)14-9-20-6-5-19(14)4/h10,14H,5-9,16H2,1-4H3.
What are the key properties of 3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine?
3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 294.47 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-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 106445974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).