4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one

C11H15N3O — CID 136736686

IUPAC4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one
SMILESC#CCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H15N3O/c1-3-4-5-6-7-12-10-8-11(15)14-9(2)13-10/h1,8H,4-7H2,2H3,(H2,12,13,14,15)
InChIKeySUTXDLAZGDCBGA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.29
Rot. Bonds5

About 4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one

4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136736686) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136736686
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one
SMILESC#CCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H15N3O/c1-3-4-5-6-7-12-10-8-11(15)14-9(2)13-10/h1,8H,4-7H2,2H3,(H2,12,13,14,15)
InChIKeySUTXDLAZGDCBGA-UHFFFAOYSA-N
XLogP1.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136117232
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
4-(butylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818517
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519
2-methyl-4-(octadecylamino)-1H-pyrimidin-6-one
CID 135818520
2-ethyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278155
2-ethyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136278156
4-(methylamino)-2-propyl-1H-pyrimidin-6-one
CID 136278175
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176

Frequently Asked Questions

What is the IUPAC name of 4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one (CID 136736686) is 4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one is C#CCCCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SUTXDLAZGDCBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-4-5-6-7-12-10-8-11(15)14-9(2)13-10/h1,8H,4-7H2,2H3,(H2,12,13,14,15).
What are the key properties of 4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one?
4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 205.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136736686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).