5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C17H13N7O3 — CID 167937463

IUPAC5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNc1c(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H13N7O3/c18-12-13(22-17(27)23-14(12)25)15(26)20-10-4-2-9(3-5-10)11-8-24-7-1-6-19-16(24)21-11/h1-8H,18H2,(H,20,26)(H2,22,23,25,27)
InChIKeyQLXSBTLHHDIBNU-UHFFFAOYSA-N
MW363.34 g/mol
LogP0.61
Rot. Bonds3

About 5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 167937463) has the molecular formula C17H13N7O3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID167937463
Molecular FormulaC17H13N7O3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNc1c(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H13N7O3/c18-12-13(22-17(27)23-14(12)25)15(26)20-10-4-2-9(3-5-10)11-8-24-7-1-6-19-16(24)21-11/h1-8H,18H2,(H,20,26)(H2,22,23,25,27)
InChIKeyQLXSBTLHHDIBNU-UHFFFAOYSA-N
XLogP0.61
TPSA151.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 75417013
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide
CID 122285607
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-propylpentanamide
CID 20868684
2-hydroxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)cyclopentane-1-carboxamide
CID 110015358
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-morpholin-4-ylacetamide
CID 75499509
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-naphthalen-1-ylacetamide
CID 122285628
2-benzyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55833853
2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168610794
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55825252
3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 55825812

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 167937463) is 5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is Nc1c(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is QLXSBTLHHDIBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O3/c18-12-13(22-17(27)23-14(12)25)15(26)20-10-4-2-9(3-5-10)11-8-24-7-1-6-19-16(24)21-11/h1-8H,18H2,(H,20,26)(H2,22,23,25,27).
What are the key properties of 5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 0.61, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 167937463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).