N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide

C15H12Cl2N4O4 — CID 135491917

IUPACN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C1CCn2c(nc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c2=O)N1
InChIInChI=1S/C15H12Cl2N4O4/c16-8-2-1-7(5-9(8)17)6-18-13(24)11-12(23)14(25)21-4-3-10(22)19-15(21)20-11/h1-2,5,23H,3-4,6H2,(H,18,24)(H,19,20,22)
InChIKeyVTGGXPKFALQDQT-UHFFFAOYSA-N
MW383.19 g/mol
LogP1.53
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide

N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 135491917) has the molecular formula C15H12Cl2N4O4 and a molecular weight of 383.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide
PubChem CID135491917
Molecular FormulaC15H12Cl2N4O4
Molecular Weight383.19 g/mol
Exact Mass382.02
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C1CCn2c(nc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c2=O)N1
InChIInChI=1S/C15H12Cl2N4O4/c16-8-2-1-7(5-9(8)17)6-18-13(24)11-12(23)14(25)21-4-3-10(22)19-15(21)20-11/h1-2,5,23H,3-4,6H2,(H,18,24)(H,19,20,22)
InChIKeyVTGGXPKFALQDQT-UHFFFAOYSA-N
XLogP1.53
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide (CID 135491917) is N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide is O=C1CCn2c(nc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c2=O)N1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is VTGGXPKFALQDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O4/c16-8-2-1-7(5-9(8)17)6-18-13(24)11-12(23)14(25)21-4-3-10(22)19-15(21)20-11/h1-2,5,23H,3-4,6H2,(H,18,24)(H,19,20,22).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 383.19 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4,8-dioxo-7,9-dihydro-6H-pyrimido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 135491917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).