2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide

C18H14Cl2N4O — CID 109255517

IUPAC2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-7-4-8-15(16(14)20)24-17(25)13-10-22-18(23-11-13)21-9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,24,25)(H,21,22,23)
InChIKeyJOQPCIOEULQRFW-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.65
Rot. Bonds5

About 2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide

2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide (PubChem CID 109255517) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
PubChem CID109255517
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-7-4-8-15(16(14)20)24-17(25)13-10-22-18(23-11-13)21-9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,24,25)(H,21,22,23)
InChIKeyJOQPCIOEULQRFW-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256282
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257733
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849
N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268445
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257535
N-(2,3-dichlorophenyl)-2-(2,6-difluoroanilino)pyrimidine-5-carboxamide
CID 109270657
2-(benzylamino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109255462
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258736
N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253299

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide (CID 109255517) is 2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cnc(NCc2ccccc2)nc1.
What is the InChIKey of 2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide?
The InChIKey is JOQPCIOEULQRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-7-4-8-15(16(14)20)24-17(25)13-10-22-18(23-11-13)21-9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,24,25)(H,21,22,23).
What are the key properties of 2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide?
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).