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

C14H23N3O — CID 114206721

IUPACN-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CCOC2)nc1CC
InChIInChI=1S/C14H23N3O/c1-3-6-15-8-12-9-16-14(17-13(12)4-2)11-5-7-18-10-11/h9,11,15H,3-8,10H2,1-2H3
InChIKeyRRZFWBUMELJFBR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.04
Rot. Bonds6

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

N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 114206721) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID114206721
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CCOC2)nc1CC
InChIInChI=1S/C14H23N3O/c1-3-6-15-8-12-9-16-14(17-13(12)4-2)11-5-7-18-10-11/h9,11,15H,3-8,10H2,1-2H3
InChIKeyRRZFWBUMELJFBR-UHFFFAOYSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65329120
2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206270
5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
CID 66301225
N-[[4-(oxolan-3-yl)thiophen-3-yl]methyl]propan-1-amine
CID 114748868
N-[2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 65329770
N,4-dimethyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83189478
N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65334784
6-ethyl-2-(oxolan-3-yl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65329062
N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183995
5-bromo-N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 82754864
5-bromo-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66302859
N-methyl-1-[2-(3-methylcyclopentyl)-4-propylpyrimidin-5-yl]methanamine
CID 114206597

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 114206721) is N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2CCOC2)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is RRZFWBUMELJFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-6-15-8-12-9-16-14(17-13(12)4-2)11-5-7-18-10-11/h9,11,15H,3-8,10H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114206721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).