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

C10H13N3O — CID 136736683

IUPAC4-(hex-5-ynylamino)-1H-pyrimidin-6-one
SMILESC#CCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O/c1-2-3-4-5-6-11-9-7-10(14)13-8-12-9/h1,7-8H,3-6H2,(H2,11,12,13,14)
InChIKeyFNJOJQACRYGQQL-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.99
Rot. Bonds5

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

4-(hex-5-ynylamino)-1H-pyrimidin-6-one (PubChem CID 136736683) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(hex-5-ynylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(hex-5-ynylamino)-1H-pyrimidin-6-one
PubChem CID136736683
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(hex-5-ynylamino)-1H-pyrimidin-6-one
SMILESC#CCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O/c1-2-3-4-5-6-11-9-7-10(14)13-8-12-9/h1,7-8H,3-6H2,(H2,11,12,13,14)
InChIKeyFNJOJQACRYGQQL-UHFFFAOYSA-N
XLogP0.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.99
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

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957057
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
5-bromo-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
CID 136736684
4-(hex-5-ynylamino)-2-methyl-1H-pyrimidin-6-one
CID 136736686
5-amino-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
CID 136736688
5-chloro-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
CID 136736690
4-(hex-5-ynylamino)-5-iodo-1H-pyrimidin-6-one
CID 136736692

Frequently Asked Questions

What is the IUPAC name of 4-(hex-5-ynylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(hex-5-ynylamino)-1H-pyrimidin-6-one (CID 136736683) is 4-(hex-5-ynylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(hex-5-ynylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(hex-5-ynylamino)-1H-pyrimidin-6-one is C#CCCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(hex-5-ynylamino)-1H-pyrimidin-6-one?
The InChIKey is FNJOJQACRYGQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-3-4-5-6-11-9-7-10(14)13-8-12-9/h1,7-8H,3-6H2,(H2,11,12,13,14).
What are the key properties of 4-(hex-5-ynylamino)-1H-pyrimidin-6-one?
4-(hex-5-ynylamino)-1H-pyrimidin-6-one has a molecular weight of 191.23 g/mol, XLogP of 0.99, 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)-1H-pyrimidin-6-one is sourced from PubChem (CID 136736683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).