6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine

C15H28N4O — CID 80990365

IUPAC6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(OCCCN(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-9-13-17-14(16-7-2)12(3)15(18-13)20-11-8-10-19(4)5/h6-11H2,1-5H3,(H,16,17,18)
InChIKeyTYDUSMOBCFWTGF-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.50
Rot. Bonds9

About 6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine

6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80990365) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80990365
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(OCCCN(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-9-13-17-14(16-7-2)12(3)15(18-13)20-11-8-10-19(4)5/h6-11H2,1-5H3,(H,16,17,18)
InChIKeyTYDUSMOBCFWTGF-UHFFFAOYSA-N
XLogP2.50
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
CID 106451466
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
CID 80989305
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408396
N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine
CID 80989853
2-cyclopropyl-6-[2-(dimethylamino)ethoxy]-N-ethyl-5-methylpyrimidin-4-amine
CID 80988193

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine (CID 80990365) is 6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(OCCCN(C)C)n1.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is TYDUSMOBCFWTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-9-13-17-14(16-7-2)12(3)15(18-13)20-11-8-10-19(4)5/h6-11H2,1-5H3,(H,16,17,18).
What are the key properties of 6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine?
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 280.42 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80990365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).