N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine

C14H23N3O — CID 102923511

IUPACN-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine
SMILESCCNC(CCCC1CCCO1)c1cncnc1
InChIInChI=1S/C14H23N3O/c1-2-17-14(12-9-15-11-16-10-12)7-3-5-13-6-4-8-18-13/h9-11,13-14,17H,2-8H2,1H3
InChIKeyPXPXLWVMLZLVRK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.48
Rot. Bonds7

About N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine

N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine (PubChem CID 102923511) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine
PubChem CID102923511
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine
SMILESCCNC(CCCC1CCCO1)c1cncnc1
InChIInChI=1S/C14H23N3O/c1-2-17-14(12-9-15-11-16-10-12)7-3-5-13-6-4-8-18-13/h9-11,13-14,17H,2-8H2,1H3
InChIKeyPXPXLWVMLZLVRK-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
1-(3,4-dichlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 81492098
[3-(oxolan-2-yl)-1-pyrimidin-5-ylpropyl]hydrazine
CID 105292141
1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 107946069
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
1-(2,5-dibromophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 104993304
N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164611
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 104993366
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 107993679
N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993701
N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
CID 104992984

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine?
The IUPAC name of N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine (CID 102923511) is N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine?
The canonical SMILES for N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine is CCNC(CCCC1CCCO1)c1cncnc1.
What is the InChIKey of N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine?
The InChIKey is PXPXLWVMLZLVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-17-14(12-9-15-11-16-10-12)7-3-5-13-6-4-8-18-13/h9-11,13-14,17H,2-8H2,1H3.
What are the key properties of N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine?
N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine is sourced from PubChem (CID 102923511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).