5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one

C18H14N6O2 — CID 16720106

IUPAC5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one
SMILESCn1cc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)ccc1=O
InChIInChI=1S/C18H14N6O2/c1-24-10-12(4-5-16(24)25)22-18-20-9-13(14-6-7-19-11-21-14)17(23-18)15-3-2-8-26-15/h2-11H,1H3,(H,20,22,23)
InChIKeyZTVPMYBJPZDOKZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.64
Rot. Bonds4

About 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one

5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one (PubChem CID 16720106) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one
PubChem CID16720106
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one
SMILESCn1cc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)ccc1=O
InChIInChI=1S/C18H14N6O2/c1-24-10-12(4-5-16(24)25)22-18-20-9-13(14-6-7-19-11-21-14)17(23-18)15-3-2-8-26-15/h2-11H,1H3,(H,20,22,23)
InChIKeyZTVPMYBJPZDOKZ-UHFFFAOYSA-N
XLogP2.64
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one with MolForge

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Related Compounds

Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 109
CID 11324754
Pyrimidine-4-carboxamide, 25
CID 11426423
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
Pyrimidine-4-carboxamide, 27
CID 44520941
4-Pyrimidinecarboxamide,6-(5-methyl-2-furanyl)-n-(2-pyridinylmethyl)-
CID 44520975
4-Pyrimidinecarboxamide,2-amino-6-(5-methyl-2-furanyl)-n-[(6-methyl-2-pyridinyl)methyl]-
CID 44520976
Pyrimidine-4-carboxamide, 115
CID 44520980
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
3-[2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
CID 72202249

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one?
The IUPAC name of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one (CID 16720106) is 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one is Cn1cc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)ccc1=O.
What is the InChIKey of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one?
The InChIKey is ZTVPMYBJPZDOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-24-10-12(4-5-16(24)25)22-18-20-9-13(14-6-7-19-11-21-14)17(23-18)15-3-2-8-26-15/h2-11H,1H3,(H,20,22,23).
What are the key properties of 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one?
5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one has a molecular weight of 346.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one is sourced from PubChem (CID 16720106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).