5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine

C11H15N3O — CID 80988014

IUPAC5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine
SMILESC#CCOc1nc(CCC)nc(N)c1C
InChIInChI=1S/C11H15N3O/c1-4-6-9-13-10(12)8(3)11(14-9)15-7-5-2/h2H,4,6-7H2,1,3H3,(H2,12,13,14)
InChIKeyPRMPVFNQMKEHIF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.33
Rot. Bonds4

About 5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine

5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine (PubChem CID 80988014) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine
PubChem CID80988014
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine
SMILESC#CCOc1nc(CCC)nc(N)c1C
InChIInChI=1S/C11H15N3O/c1-4-6-9-13-10(12)8(3)11(14-9)15-7-5-2/h2H,4,6-7H2,1,3H3,(H2,12,13,14)
InChIKeyPRMPVFNQMKEHIF-UHFFFAOYSA-N
XLogP1.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', '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
6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988067
6-but-3-ynoxy-2-ethyl-5-methylpyrimidin-4-amine
CID 106795554
5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794553
5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80989825
6-(1-methoxypropan-2-yloxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80990509
6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456103
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669
2-ethyl-6-hexoxy-5-methylpyrimidin-4-amine
CID 80989158
6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988630

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine (CID 80988014) is 5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine is C#CCOc1nc(CCC)nc(N)c1C.
What is the InChIKey of 5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine?
The InChIKey is PRMPVFNQMKEHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-6-9-13-10(12)8(3)11(14-9)15-7-5-2/h2H,4,6-7H2,1,3H3,(H2,12,13,14).
What are the key properties of 5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine?
5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-prop-2-ynoxypyrimidin-4-amine is sourced from PubChem (CID 80988014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).