N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide

C19H19N5O4 — CID 121119752

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cn1
InChIInChI=1S/C19H19N5O4/c1-2-13-10-16(25)23(12-22-13)9-8-20-17(26)15-11-21-19(28)24(18(15)27)14-6-4-3-5-7-14/h3-7,10-12H,2,8-9H2,1H3,(H,20,26)(H,21,28)
InChIKeyQNNCVISPDFJPEM-UHFFFAOYSA-N
MW381.39 g/mol
LogP0.07
Rot. Bonds6

About N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 121119752) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID121119752
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cn1
InChIInChI=1S/C19H19N5O4/c1-2-13-10-16(25)23(12-22-13)9-8-20-17(26)15-11-21-19(28)24(18(15)27)14-6-4-3-5-7-14/h3-7,10-12H,2,8-9H2,1H3,(H,20,26)(H,21,28)
InChIKeyQNNCVISPDFJPEM-UHFFFAOYSA-N
XLogP0.07
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90516273
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 121119568
3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121119362
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121120476
2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90538867
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121106806
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
CID 121119576
5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 121119306
3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 121121583
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121119799
1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121119862
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 121119682

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (CID 121119752) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is CCc1cc(=O)n(CCNC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is QNNCVISPDFJPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-2-13-10-16(25)23(12-22-13)9-8-20-17(26)15-11-21-19(28)24(18(15)27)14-6-4-3-5-7-14/h3-7,10-12H,2,8-9H2,1H3,(H,20,26)(H,21,28).
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121119752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).