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

C13H21N3O — CID 114158202

IUPAC6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCCC2CC2)nc(C)n1
InChIInChI=1S/C13H21N3O/c1-3-7-14-12-9-13(16-10(2)15-12)17-8-6-11-4-5-11/h9,11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyVTNUXHNDNCYVDA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.79
Rot. Bonds7

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

6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 114158202) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID114158202
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCCC2CC2)nc(C)n1
InChIInChI=1S/C13H21N3O/c1-3-7-14-12-9-13(16-10(2)15-12)17-8-6-11-4-5-11/h9,11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyVTNUXHNDNCYVDA-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959220
2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine
CID 106207657
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
6-(2-cyclopropylethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 144538323
[6-(2-cyclobutylethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 106207928
6-cyclobutyloxy-2-methyl-N-propylpyrimidin-4-amine
CID 80873247
6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
CID 106207668
6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
CID 66324652
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
6-(2-cyclobutylethoxy)-N-propylpyrazin-2-amine
CID 114158245
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine (CID 114158202) is 6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(OCCC2CC2)nc(C)n1.
What is the InChIKey of 6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is VTNUXHNDNCYVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-7-14-12-9-13(16-10(2)15-12)17-8-6-11-4-5-11/h9,11H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine?
6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114158202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).