5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide

C15H16Cl2N4O2 — CID 48692385

IUPAC5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2O)n1
InChIInChI=1S/C15H16Cl2N4O2/c1-3-21(4-2)15-18-8-10(17)13(20-15)14(23)19-11-7-9(16)5-6-12(11)22/h5-8,22H,3-4H2,1-2H3,(H,19,23)
InChIKeyFIDDCXUGCMTVQD-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.59
Rot. Bonds5

About 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide

5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 48692385) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide
PubChem CID48692385
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC Name5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2O)n1
InChIInChI=1S/C15H16Cl2N4O2/c1-3-21(4-2)15-18-8-10(17)13(20-15)14(23)19-11-7-9(16)5-6-12(11)22/h5-8,22H,3-4H2,1-2H3,(H,19,23)
InChIKeyFIDDCXUGCMTVQD-UHFFFAOYSA-N
XLogP3.59
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262569
5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide
CID 48656544
5-chloro-N-(2,5-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6456920
5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 48655504
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 2992367
5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide
CID 48659953
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709
N-(2,4-dichlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194822
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258482
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide (CID 48692385) is 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2O)n1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is FIDDCXUGCMTVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c1-3-21(4-2)15-18-8-10(17)13(20-15)14(23)19-11-7-9(16)5-6-12(11)22/h5-8,22H,3-4H2,1-2H3,(H,19,23).
What are the key properties of 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 48692385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).