N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide

C19H18N4O3 — CID 1045371

IUPACN-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide
SMILESNc1c(NC=O)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H18N4O3/c20-17-16(21-13-24)18(25)23(12-15-9-5-2-6-10-15)19(26)22(17)11-14-7-3-1-4-8-14/h1-10,13H,11-12,20H2,(H,21,24)
InChIKeyZPIDQHYZZLNZEJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.26
Rot. Bonds6

About N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide

N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide (PubChem CID 1045371) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide
PubChem CID1045371
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide
SMILESNc1c(NC=O)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H18N4O3/c20-17-16(21-13-24)18(25)23(12-15-9-5-2-6-10-15)19(26)22(17)11-14-7-3-1-4-8-14/h1-10,13H,11-12,20H2,(H,21,24)
InChIKeyZPIDQHYZZLNZEJ-UHFFFAOYSA-N
XLogP1.26
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide?
The IUPAC name of N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide (CID 1045371) is N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide.
What is the SMILES notation for N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide?
The canonical SMILES for N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide is Nc1c(NC=O)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide?
The InChIKey is ZPIDQHYZZLNZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-17-16(21-13-24)18(25)23(12-15-9-5-2-6-10-15)19(26)22(17)11-14-7-3-1-4-8-14/h1-10,13H,11-12,20H2,(H,21,24).
What are the key properties of N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide?
N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide has a molecular weight of 350.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide is sourced from PubChem (CID 1045371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).