6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine

C11H15N3O — CID 106795508

IUPAC6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine
SMILESC#CCCOc1ncnc(NCC)c1C
InChIInChI=1S/C11H15N3O/c1-4-6-7-15-11-9(3)10(12-5-2)13-8-14-11/h1,8H,5-7H2,2-3H3,(H,12,13,14)
InChIKeyFRAGYMFTOBRTCA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.62
Rot. Bonds5

About 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine

6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 106795508) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID106795508
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine
SMILESC#CCCOc1ncnc(NCC)c1C
InChIInChI=1S/C11H15N3O/c1-4-6-7-15-11-9(3)10(12-5-2)13-8-14-11/h1,8H,5-7H2,2-3H3,(H,12,13,14)
InChIKeyFRAGYMFTOBRTCA-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 104568195
4-but-3-ynoxy-6-chloro-5-methylpyrimidine
CID 106794860
N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine
CID 80872107
6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine
CID 106795649
N-ethyl-5-methyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80865448
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
6-(cyclohexylmethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80880319
N-ethyl-5-methyl-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 80876908
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
CID 80861670

Frequently Asked Questions

What is the IUPAC name of 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine (CID 106795508) is 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine is C#CCCOc1ncnc(NCC)c1C.
What is the InChIKey of 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is FRAGYMFTOBRTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-6-7-15-11-9(3)10(12-5-2)13-8-14-11/h1,8H,5-7H2,2-3H3,(H,12,13,14).
What are the key properties of 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine?
6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 106795508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).