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

C16H27N3O — CID 80680873

IUPAC2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nc(C2(C)CCCCO2)nc1C
InChIInChI=1S/C16H27N3O/c1-11(10-17-5)14-12(2)18-15(19-13(14)3)16(4)8-6-7-9-20-16/h11,17H,6-10H2,1-5H3
InChIKeyNZNZRWSWWCFWKS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.83
Rot. Bonds4

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

2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine (PubChem CID 80680873) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
PubChem CID80680873
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nc(C2(C)CCCCO2)nc1C
InChIInChI=1S/C16H27N3O/c1-11(10-17-5)14-12(2)18-15(19-13(14)3)16(4)8-6-7-9-20-16/h11,17H,6-10H2,1-5H3
InChIKeyNZNZRWSWWCFWKS-UHFFFAOYSA-N
XLogP2.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine (CID 80680873) is 2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine is CNCC(C)c1c(C)nc(C2(C)CCCCO2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The InChIKey is NZNZRWSWWCFWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(10-17-5)14-12(2)18-15(19-13(14)3)16(4)8-6-7-9-20-16/h11,17H,6-10H2,1-5H3.
What are the key properties of 2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine?
2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 80680873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).