5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine

C16H29N3O2 — CID 80991146

IUPAC5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(OCCOCCC)c1C
InChIInChI=1S/C16H29N3O2/c1-5-8-14-18-15(17-9-6-2)13(4)16(19-14)21-12-11-20-10-7-3/h5-12H2,1-4H3,(H,17,18,19)
InChIKeyFOBQKFMDFKAOBB-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.36
Rot. Bonds11

About 5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine

5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine (PubChem CID 80991146) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
PubChem CID80991146
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(OCCOCCC)c1C
InChIInChI=1S/C16H29N3O2/c1-5-8-14-18-15(17-9-6-2)13(4)16(19-14)21-12-11-20-10-7-3/h5-12H2,1-4H3,(H,17,18,19)
InChIKeyFOBQKFMDFKAOBB-UHFFFAOYSA-N
XLogP3.36
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.36
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

2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
5-methyl-6-(2-propan-2-yloxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80988691
5-methyl-6-(3-methylbutoxy)-N,2-dipropylpyrimidin-4-amine
CID 80989305
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
CID 106451466
[6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 103176603
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
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417
5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
CID 102989455
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine (CID 80991146) is 5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine is CCCNc1nc(CCC)nc(OCCOCCC)c1C.
What is the InChIKey of 5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine?
The InChIKey is FOBQKFMDFKAOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-8-14-18-15(17-9-6-2)13(4)16(19-14)21-12-11-20-10-7-3/h5-12H2,1-4H3,(H,17,18,19).
What are the key properties of 5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine?
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine has a molecular weight of 295.43 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80991146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).