2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine

C12H21N3O — CID 116729178

IUPAC2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCOC(CC)c1nc(N)c(C)c(CC)n1
InChIInChI=1S/C12H21N3O/c1-5-9-8(4)11(13)15-12(14-9)10(6-2)16-7-3/h10H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyVXAPKJQQOAUUPQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.42
Rot. Bonds5

About 2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine

2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine (PubChem CID 116729178) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine
PubChem CID116729178
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCOC(CC)c1nc(N)c(C)c(CC)n1
InChIInChI=1S/C12H21N3O/c1-5-9-8(4)11(13)15-12(14-9)10(6-2)16-7-3/h10H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyVXAPKJQQOAUUPQ-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 116730430
5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
CID 116729296
5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine
CID 116729378
2-[2-(1-ethoxypropyl)-4,6-diethylpyrimidin-5-yl]-N-methylethanamine
CID 116731898
4-(1-ethoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116734056
2-(1-ethoxypropyl)-7H-purin-6-amine
CID 174819126
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine
CID 116776337
5-bromo-2-(1-ethoxypropyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729550
6-ethyl-5-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
CID 116633207
3,5-dimethyl-6-propan-2-ylpyridine-2,4-diamine;6-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 157301801
6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine
CID 116729139
ethyl 4-(chloromethyl)-2-(1-ethoxypropyl)pyrimidine-5-carboxylate
CID 102973408

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine (CID 116729178) is 2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine is CCOC(CC)c1nc(N)c(C)c(CC)n1.
What is the InChIKey of 2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is VXAPKJQQOAUUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-9-8(4)11(13)15-12(14-9)10(6-2)16-7-3/h10H,5-7H2,1-4H3,(H2,13,14,15).
What are the key properties of 2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine?
2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-6-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 116729178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).