2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine

C16H27N3O — CID 79219301

IUPAC2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCCc1nc(CC2CCCO2)nc(CC)c1CCNC
InChIInChI=1S/C16H27N3O/c1-4-14-13(8-9-17-3)15(5-2)19-16(18-14)11-12-7-6-10-20-12/h12,17H,4-11H2,1-3H3
InChIKeyJLWBVJMFRJUXTN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.08
Rot. Bonds7

About 2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine

2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 79219301) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID79219301
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCCc1nc(CC2CCCO2)nc(CC)c1CCNC
InChIInChI=1S/C16H27N3O/c1-4-14-13(8-9-17-3)15(5-2)19-16(18-14)11-12-7-6-10-20-12/h12,17H,4-11H2,1-3H3
InChIKeyJLWBVJMFRJUXTN-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66301056
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 66307742
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62745830
[5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62251234
5-iodo-6-(methoxymethyl)-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66303027
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine
CID 55113677
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 66304470
5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 113391678
N-methyl-2-[2-(oxan-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115083290

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine (CID 79219301) is 2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine is CCc1nc(CC2CCCO2)nc(CC)c1CCNC.
What is the InChIKey of 2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is JLWBVJMFRJUXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-14-13(8-9-17-3)15(5-2)19-16(18-14)11-12-7-6-10-20-12/h12,17H,4-11H2,1-3H3.
What are the key properties of 2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 79219301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).