N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine

C13H21BrN4O2 — CID 106999679

IUPACN-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1c1ncc(Br)c(OC)n1
InChIInChI=1S/C13H21BrN4O2/c1-3-4-15-7-10-9-20-6-5-18(10)13-16-8-11(14)12(17-13)19-2/h8,10,15H,3-7,9H2,1-2H3
InChIKeyFVCZOVBNFDYSKJ-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.45
Rot. Bonds6

About N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine

N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine (PubChem CID 106999679) has the molecular formula C13H21BrN4O2 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine
PubChem CID106999679
Molecular FormulaC13H21BrN4O2
Molecular Weight345.24 g/mol
Exact Mass344.08
IUPAC NameN-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1c1ncc(Br)c(OC)n1
InChIInChI=1S/C13H21BrN4O2/c1-3-4-15-7-10-9-20-6-5-18(10)13-16-8-11(14)12(17-13)19-2/h8,10,15H,3-7,9H2,1-2H3
InChIKeyFVCZOVBNFDYSKJ-UHFFFAOYSA-N
XLogP1.45
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromo-4-methoxypyrimidin-2-yl)-3-(chloromethyl)morpholine
CID 106999878
N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 103584045
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
CID 106998436
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]-N-methylethanamine
CID 106998163
N-[(4-quinazolin-2-ylmorpholin-3-yl)methyl]ethanamine
CID 114789779
N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
CID 105368651
N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 83105942
5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 103745895
N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83101094
5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80780829
1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one
CID 83105741
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine (CID 106999679) is N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1c1ncc(Br)c(OC)n1.
What is the InChIKey of N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is FVCZOVBNFDYSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2/c1-3-4-15-7-10-9-20-6-5-18(10)13-16-8-11(14)12(17-13)19-2/h8,10,15H,3-7,9H2,1-2H3.
What are the key properties of N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine?
N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 345.24 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-bromo-4-methoxypyrimidin-2-yl)morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 106999679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).