2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine

C15H26N4O2 — CID 82453993

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCCCN2CCOCC2)nc(C)n1
InChIInChI=1S/C15H26N4O2/c1-3-9-21-15-12-14(17-13(2)18-15)16-5-4-6-19-7-10-20-11-8-19/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyFCJTZMUHGSITHG-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.71
Rot. Bonds8

About 2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine

2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine (PubChem CID 82453993) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
PubChem CID82453993
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCCCN2CCOCC2)nc(C)n1
InChIInChI=1S/C15H26N4O2/c1-3-9-21-15-12-14(17-13(2)18-15)16-5-4-6-19-7-10-20-11-8-19/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyFCJTZMUHGSITHG-UHFFFAOYSA-N
XLogP1.71
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.71
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-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
6-ethoxy-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 82456613
N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454010
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66325980
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 115975022
N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80870434
6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
CID 80940890
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine (CID 82453993) is 2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine is CCCOc1cc(NCCCN2CCOCC2)nc(C)n1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine?
The InChIKey is FCJTZMUHGSITHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-9-21-15-12-14(17-13(2)18-15)16-5-4-6-19-7-10-20-11-8-19/h12H,3-11H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine?
2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine has a molecular weight of 294.40 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82453993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).