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

C12H21N3O2 — CID 80988067

IUPAC6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(OCCCOC)n1
InChIInChI=1S/C12H21N3O2/c1-4-6-10-14-11(13)9(2)12(15-10)17-8-5-7-16-3/h4-8H2,1-3H3,(H2,13,14,15)
InChIKeyVOPYAJJTVCBUMY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.74
Rot. Bonds7

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

6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80988067) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80988067
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(OCCCOC)n1
InChIInChI=1S/C12H21N3O2/c1-4-6-10-14-11(13)9(2)12(15-10)17-8-5-7-16-3/h4-8H2,1-3H3,(H2,13,14,15)
InChIKeyVOPYAJJTVCBUMY-UHFFFAOYSA-N
XLogP1.74
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.74
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

6-butoxy-5-methyl-2-propylpyrimidin-4-amine
CID 80989223
2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxyethanol
CID 80989436
5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794553
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
2-ethyl-6-hexoxy-5-methylpyrimidin-4-amine
CID 80989158
6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80990509
5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine
CID 80988014
[6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 103176603
6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456103
5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80989825
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine (CID 80988067) is 6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(OCCCOC)n1.
What is the InChIKey of 6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is VOPYAJJTVCBUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-10-14-11(13)9(2)12(15-10)17-8-5-7-16-3/h4-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine?
6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80988067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).