N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide

C18H14Cl2N4O — CID 109255356

IUPACN-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-6-7-15(20)16(8-14)24-18-22-10-13(11-23-18)17(25)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,25)(H,22,23,24)
InChIKeyQKUFUZWVNBKQOX-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds5

About N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide

N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide (PubChem CID 109255356) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide
PubChem CID109255356
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC NameN-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-6-7-15(20)16(8-14)24-18-22-10-13(11-23-18)17(25)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,25)(H,22,23,24)
InChIKeyQKUFUZWVNBKQOX-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
CID 109255301
2-(2,5-dichloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256195
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380288
2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255924
2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
2-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256158
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109257644
2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109261408
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235330

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide (CID 109255356) is N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide is O=C(NCc1ccccc1)c1cnc(Nc2cc(Cl)ccc2Cl)nc1.
What is the InChIKey of N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide?
The InChIKey is QKUFUZWVNBKQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-6-7-15(20)16(8-14)24-18-22-10-13(11-23-18)17(25)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,25)(H,22,23,24).
What are the key properties of N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide?
N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).