2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine

C14H23N3O — CID 103988011

IUPAC2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(CC2CCOC2)nc1C
InChIInChI=1S/C14H23N3O/c1-10-13(4-6-15-3)11(2)17-14(16-10)8-12-5-7-18-9-12/h12,15H,4-9H2,1-3H3
InChIKeyFCUAGOYIUNVCDA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.43
Rot. Bonds5

About 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine

2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 103988011) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID103988011
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(CC2CCOC2)nc1C
InChIInChI=1S/C14H23N3O/c1-10-13(4-6-15-3)11(2)17-14(16-10)8-12-5-7-18-9-12/h12,15H,4-9H2,1-3H3
InChIKeyFCUAGOYIUNVCDA-UHFFFAOYSA-N
XLogP1.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103985851
N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103985627
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 103988030
6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 113362255
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-methylethanamine
CID 62746334
methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
CID 116647653
[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 103987906
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 65144126
N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 103987982
[6-ethyl-5-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 103987918
N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 103987843

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine (CID 103988011) is 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine is CNCCc1c(C)nc(CC2CCOC2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is FCUAGOYIUNVCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-13(4-6-15-3)11(2)17-14(16-10)8-12-5-7-18-9-12/h12,15H,4-9H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.43, 5 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-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 103988011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).