4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide

C17H12Cl2N4O2 — CID 172593964

IUPAC4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide
SMILESNc1ncn(-c2c(Cl)cccc2Cl)c(=O)c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H12Cl2N4O2/c18-11-7-4-8-12(19)14(11)23-9-21-15(20)13(17(23)25)16(24)22-10-5-2-1-3-6-10/h1-9H,20H2,(H,22,24)
InChIKeyQRIMLOIADJVJTL-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.37
Rot. Bonds3

About 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide

4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide (PubChem CID 172593964) has the molecular formula C17H12Cl2N4O2 and a molecular weight of 375.22 g/mol. Its IUPAC name is 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide
PubChem CID172593964
Molecular FormulaC17H12Cl2N4O2
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide
SMILESNc1ncn(-c2c(Cl)cccc2Cl)c(=O)c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H12Cl2N4O2/c18-11-7-4-8-12(19)14(11)23-9-21-15(20)13(17(23)25)16(24)22-10-5-2-1-3-6-10/h1-9H,20H2,(H,22,24)
InChIKeyQRIMLOIADJVJTL-UHFFFAOYSA-N
XLogP3.37
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide (CID 172593964) is 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide is Nc1ncn(-c2c(Cl)cccc2Cl)c(=O)c1C(=O)Nc1ccccc1.
What is the InChIKey of 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide?
The InChIKey is QRIMLOIADJVJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O2/c18-11-7-4-8-12(19)14(11)23-9-21-15(20)13(17(23)25)16(24)22-10-5-2-1-3-6-10/h1-9H,20H2,(H,22,24).
What are the key properties of 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide?
4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide has a molecular weight of 375.22 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 172593964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).