N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine

C14H25N3O2 — CID 80988992

IUPACN-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(OCCCOC)n1
InChIInChI=1S/C14H25N3O2/c1-5-8-12-16-13(15-6-2)11(3)14(17-12)19-10-7-9-18-4/h5-10H2,1-4H3,(H,15,16,17)
InChIKeyXOALCLNUHHSWRL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.58
Rot. Bonds9

About N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine

N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80988992) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80988992
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(OCCCOC)n1
InChIInChI=1S/C14H25N3O2/c1-5-8-12-16-13(15-6-2)11(3)14(17-12)19-10-7-9-18-4/h5-10H2,1-4H3,(H,15,16,17)
InChIKeyXOALCLNUHHSWRL-UHFFFAOYSA-N
XLogP2.58
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.58
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

3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365
N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408396
[6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 103176603
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988067
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
N,5-dimethyl-6-pent-4-enoxy-2-propylpyrimidin-4-amine
CID 80989853

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine (CID 80988992) is N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(OCCCOC)n1.
What is the InChIKey of N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is XOALCLNUHHSWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-8-12-16-13(15-6-2)11(3)14(17-12)19-10-7-9-18-4/h5-10H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine?
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 267.37 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80988992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).