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

C13H22N4O2 — CID 102536443

IUPAC3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C13H22N4O2/c1-18-6-2-3-14-9-12-10-15-13(16-11-12)17-4-7-19-8-5-17/h10-11,14H,2-9H2,1H3
InChIKeyMKMNLXGPWRVLCX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.44
Rot. Bonds7

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

3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 102536443) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
PubChem CID102536443
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C13H22N4O2/c1-18-6-2-3-14-9-12-10-15-13(16-11-12)17-4-7-19-8-5-17/h10-11,14H,2-9H2,1H3
InChIKeyMKMNLXGPWRVLCX-UHFFFAOYSA-N
XLogP0.44
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.44
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

2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011465
2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011453
3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol
CID 110909574
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 103535978
3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536022
3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol
CID 111470717
3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol
CID 111114925
N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine
CID 87011446
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 107457104
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129000274
1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
CID 111334317
N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 62744964

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine (CID 102536443) is 3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine is COCCCNCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is MKMNLXGPWRVLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-18-6-2-3-14-9-12-10-15-13(16-11-12)17-4-7-19-8-5-17/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine?
3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 102536443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).