N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide

C20H23N3O4 — CID 11428639

IUPACN-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide
SMILESCn1c2c(c(=O)n(C)c1=O)C(C(=O)NC(C)(C)C)C=C(c1ccccc1)O2
InChIInChI=1S/C20H23N3O4/c1-20(2,3)21-16(24)13-11-14(12-9-7-6-8-10-12)27-18-15(13)17(25)22(4)19(26)23(18)5/h6-11,13H,1-5H3,(H,21,24)
InChIKeyARYVPCRNEWCAFA-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.52
Rot. Bonds2

About N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide

N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide (PubChem CID 11428639) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide
PubChem CID11428639
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide
SMILESCn1c2c(c(=O)n(C)c1=O)C(C(=O)NC(C)(C)C)C=C(c1ccccc1)O2
InChIInChI=1S/C20H23N3O4/c1-20(2,3)21-16(24)13-11-14(12-9-7-6-8-10-12)27-18-15(13)17(25)22(4)19(26)23(18)5/h6-11,13H,1-5H3,(H,21,24)
InChIKeyARYVPCRNEWCAFA-UHFFFAOYSA-N
XLogP1.52
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide (CID 11428639) is N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide is Cn1c2c(c(=O)n(C)c1=O)C(C(=O)NC(C)(C)C)C=C(c1ccccc1)O2.
What is the InChIKey of N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ARYVPCRNEWCAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-20(2,3)21-16(24)13-11-14(12-9-7-6-8-10-12)27-18-15(13)17(25)22(4)19(26)23(18)5/h6-11,13H,1-5H3,(H,21,24).
What are the key properties of N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide?
N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-5H-pyrano[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 11428639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).