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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Related Compounds

5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680622
5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80681024
N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine
CID 80681424
4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine
CID 80690391
N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 80685788
2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 65390475
N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine
CID 114245206
N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80690087
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80681354
[2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80681493
5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
CID 80681256
N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80681636

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).