N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine

C14H23N3O — CID 103987982

IUPACN-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
SMILESCCNC(C)c1cnc(CC2CCOC2)nc1C
InChIInChI=1S/C14H23N3O/c1-4-15-10(2)13-8-16-14(17-11(13)3)7-12-5-6-18-9-12/h8,10,12,15H,4-7,9H2,1-3H3
InChIKeyUANMJJOMFHXXCO-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.03
Rot. Bonds5

About N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine

N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine (PubChem CID 103987982) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
PubChem CID103987982
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
SMILESCCNC(C)c1cnc(CC2CCOC2)nc1C
InChIInChI=1S/C14H23N3O/c1-4-15-10(2)13-8-16-14(17-11(13)3)7-12-5-6-18-9-12/h8,10,12,15H,4-7,9H2,1-3H3
InChIKeyUANMJJOMFHXXCO-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 103988030
1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 113291435
2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
CID 62770494
5-iodo-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
CID 113362270
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085273
6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 113362255
N-ethyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103988151
N-[1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 113362298
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 103988011
N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 103988061
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine (CID 103987982) is N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine is CCNC(C)c1cnc(CC2CCOC2)nc1C.
What is the InChIKey of N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is UANMJJOMFHXXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-15-10(2)13-8-16-14(17-11(13)3)7-12-5-6-18-9-12/h8,10,12,15H,4-7,9H2,1-3H3.
What are the key properties of N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine?
N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103987982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).