6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine

C12H21N3O2 — CID 80949615

IUPAC6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(OCCOCC)n1
InChIInChI=1S/C12H21N3O2/c1-4-6-10-14-11(13-3)9-12(15-10)17-8-7-16-5-2/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyBIFAAFBOLCBLRV-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.89
Rot. Bonds8

About 6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine

6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80949615) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80949615
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(OCCOCC)n1
InChIInChI=1S/C12H21N3O2/c1-4-6-10-14-11(13-3)9-12(15-10)17-8-7-16-5-2/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyBIFAAFBOLCBLRV-UHFFFAOYSA-N
XLogP1.89
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.89
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-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941132
N-methyl-6-prop-2-enoxy-2-propylpyrimidin-4-amine
CID 80950558
6-(2-ethylbutoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 114208764
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine
CID 80950560
[6-[2-(3-methoxypropoxy)ethoxy]-2-propylpyrimidin-4-yl]hydrazine
CID 103176595
3-[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 113401644
N-methyl-6-(3-methylbutan-2-yloxy)-2-propylpyrimidin-4-amine
CID 80950076
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine (CID 80949615) is 6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(OCCOCC)n1.
What is the InChIKey of 6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is BIFAAFBOLCBLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-10-14-11(13-3)9-12(15-10)17-8-7-16-5-2/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine?
6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).