N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine

C14H24N4O — CID 79669924

IUPACN-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CN(CC)CCO2)nc1
InChIInChI=1S/C14H24N4O/c1-3-5-15-8-12-9-16-14(17-10-12)13-11-18(4-2)6-7-19-13/h9-10,13,15H,3-8,11H2,1-2H3
InChIKeyJYJBOBUQMCTJQO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.37
Rot. Bonds6

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

N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 79669924) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID79669924
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CN(CC)CCO2)nc1
InChIInChI=1S/C14H24N4O/c1-3-5-15-8-12-9-16-14(17-10-12)13-11-18(4-2)6-7-19-13/h9-10,13,15H,3-8,11H2,1-2H3
InChIKeyJYJBOBUQMCTJQO-UHFFFAOYSA-N
XLogP1.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 79669267
N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388001
N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 79165728
N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364019
6-ethyl-2-(4-ethylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79669666
2-[5-(1-chloroethyl)-4-methylpyrimidin-2-yl]-4-ethylmorpholine
CID 79669754
1-[(2R)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328397
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 79669202
5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657646
4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 116640989
N-[(2-thiomorpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 113388026

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 79669924) is N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2CN(CC)CCO2)nc1.
What is the InChIKey of N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is JYJBOBUQMCTJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-5-15-8-12-9-16-14(17-10-12)13-11-18(4-2)6-7-19-13/h9-10,13,15H,3-8,11H2,1-2H3.
What are the key properties of N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 79669924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).