N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine

C16H29N3O2 — CID 106451466

IUPACN-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(OCCOCC(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-6-8-14-18-15(17-7-2)13(5)16(19-14)21-10-9-20-11-12(3)4/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyJNFPYXHVMGYVNL-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.22
Rot. Bonds10

About N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine

N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine (PubChem CID 106451466) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
PubChem CID106451466
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(OCCOCC(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-6-8-14-18-15(17-7-2)13(5)16(19-14)21-10-9-20-11-12(3)4/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyJNFPYXHVMGYVNL-UHFFFAOYSA-N
XLogP3.22
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.22
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-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146
2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
CID 106451543
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
CID 80989305
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
5-methyl-6-(2-propan-2-yloxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80988691
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
[6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 103176603

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine (CID 106451466) is N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(OCCOCC(C)C)n1.
What is the InChIKey of N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine?
The InChIKey is JNFPYXHVMGYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-8-14-18-15(17-7-2)13(5)16(19-14)21-10-9-20-11-12(3)4/h12H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine?
N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine has a molecular weight of 295.43 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 106451466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).