6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine

C15H27N5O2 — CID 82455993

IUPAC6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NCCCN2CCOCC2)c(N)c(OC)n1
InChIInChI=1S/C15H27N5O2/c1-3-5-12-18-14(13(16)15(19-12)21-2)17-6-4-7-20-8-10-22-11-9-20/h3-11,16H2,1-2H3,(H,17,18,19)
InChIKeyXKTSMJPTORYWCL-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.15
Rot. Bonds8

About 6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine

6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine (PubChem CID 82455993) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine
PubChem CID82455993
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NCCCN2CCOCC2)c(N)c(OC)n1
InChIInChI=1S/C15H27N5O2/c1-3-5-12-18-14(13(16)15(19-12)21-2)17-6-4-7-20-8-10-22-11-9-20/h3-11,16H2,1-2H3,(H,17,18,19)
InChIKeyXKTSMJPTORYWCL-UHFFFAOYSA-N
XLogP1.15
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455713
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
6-chloro-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidin-4-amine
CID 80940890
4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 143380800
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
6-ethoxy-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 82455409
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
CID 126471335
1-ethyl-3-methyl-N-(2-morpholin-4-ylethyl)-5-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 71691384
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine (CID 82455993) is 6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine is CCCc1nc(NCCCN2CCOCC2)c(N)c(OC)n1.
What is the InChIKey of 6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine?
The InChIKey is XKTSMJPTORYWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-3-5-12-18-14(13(16)15(19-12)21-2)17-6-4-7-20-8-10-22-11-9-20/h3-11,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine?
6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine has a molecular weight of 309.41 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).