4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one

C17H14N4O2 — CID 59749102

IUPAC4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one
SMILESCC#CCn1ccc(-c2cnc(N)nc2-c2ccco2)cc1=O
InChIInChI=1S/C17H14N4O2/c1-2-3-7-21-8-6-12(10-15(21)22)13-11-19-17(18)20-16(13)14-5-4-9-23-14/h4-6,8-11H,7H2,1H3,(H2,18,19,20)
InChIKeyUZMMPKPVKUOCHK-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.17
Rot. Bonds3

About 4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one

4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one (PubChem CID 59749102) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one.

Molecular Properties

Compound Name4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one
PubChem CID59749102
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one
SMILESCC#CCn1ccc(-c2cnc(N)nc2-c2ccco2)cc1=O
InChIInChI=1S/C17H14N4O2/c1-2-3-7-21-8-6-12(10-15(21)22)13-11-19-17(18)20-16(13)14-5-4-9-23-14/h4-6,8-11H,7H2,1H3,(H2,18,19,20)
InChIKeyUZMMPKPVKUOCHK-UHFFFAOYSA-N
XLogP2.17
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-[2-(diethylamino)ethyl]pyridin-2-one
CID 59749176
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-pyrrol-1-ylethyl)pyridin-2-one
CID 59749096
4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-[[3-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-yl]methyl]pyridin-2-one
CID 162557297
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(2-hydroxyethyl)pyridin-2-one
CID 59749146
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-methylpyridin-2-one;methanesulfonic acid
CID 24798371
4-(furan-2-yl)-5-phenylpyrimidin-2-amine
CID 134140522
5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-(3-fluoropropyl)pyridin-2-one
CID 59749154
2-[5-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 59749186
4-(furan-2-yl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-amine
CID 146299644
4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one
CID 23144116
methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate
CID 125457554
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide
CID 59834969

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one?
The IUPAC name of 4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one (CID 59749102) is 4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one.
What is the SMILES notation for 4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one?
The canonical SMILES for 4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one is CC#CCn1ccc(-c2cnc(N)nc2-c2ccco2)cc1=O.
What is the InChIKey of 4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one?
The InChIKey is UZMMPKPVKUOCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-2-3-7-21-8-6-12(10-15(21)22)13-11-19-17(18)20-16(13)14-5-4-9-23-14/h4-6,8-11H,7H2,1H3,(H2,18,19,20).
What are the key properties of 4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one?
4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one has a molecular weight of 306.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(furan-2-yl)pyrimidin-5-yl]-1-but-2-ynylpyridin-2-one is sourced from PubChem (CID 59749102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).