5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C16H16N6O4 — CID 155590513

IUPAC5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN(Cc1ccccn1)c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C
InChIInChI=1S/C16H16N6O4/c1-21(8-10-5-3-4-6-17-10)16-20-12(13(23)15(25)22(16)2)14(24)19-11-7-18-26-9-11/h3-7,9,23H,8H2,1-2H3,(H,19,24)
InChIKeyWXAFLXDMLWUATB-UHFFFAOYSA-N
MW356.34 g/mol
LogP0.76
Rot. Bonds5

About 5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 155590513) has the molecular formula C16H16N6O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID155590513
Molecular FormulaC16H16N6O4
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC Name5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCN(Cc1ccccn1)c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C
InChIInChI=1S/C16H16N6O4/c1-21(8-10-5-3-4-6-17-10)16-20-12(13(23)15(25)22(16)2)14(24)19-11-7-18-26-9-11/h3-7,9,23H,8H2,1-2H3,(H,19,24)
InChIKeyWXAFLXDMLWUATB-UHFFFAOYSA-N
XLogP0.76
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 155590513) is 5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is CN(Cc1ccccn1)c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C.
What is the InChIKey of 5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is WXAFLXDMLWUATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4/c1-21(8-10-5-3-4-6-17-10)16-20-12(13(23)15(25)22(16)2)14(24)19-11-7-18-26-9-11/h3-7,9,23H,8H2,1-2H3,(H,19,24).
What are the key properties of 5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 356.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 155590513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).