4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

C13H24N4O — CID 80812797

IUPAC4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCCCOC
InChIInChI=1S/C13H24N4O/c1-4-7-11-12(14-2)16-10-17-13(11)15-8-5-6-9-18-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyHEMDZFMRKAMLCK-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.31
Rot. Bonds9

About 4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80812797) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80812797
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCCCOC
InChIInChI=1S/C13H24N4O/c1-4-7-11-12(14-2)16-10-17-13(11)15-8-5-6-9-18-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyHEMDZFMRKAMLCK-UHFFFAOYSA-N
XLogP2.31
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80825153
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
2-methyl-5-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106163228
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80771977
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol
CID 106163035
6-N-methyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766055
4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135072

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80812797) is 4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCCCCOC.
What is the InChIKey of 4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is HEMDZFMRKAMLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-7-11-12(14-2)16-10-17-13(11)15-8-5-6-9-18-3/h10H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80812797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).