2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide

C18H14Cl2N4O — CID 109303727

IUPAC2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C18H14Cl2N4O/c19-14-7-6-13(10-15(14)20)23-17(25)16-8-9-21-18(24-16)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,25)(H,21,22,24)
InChIKeyDGPJPQRMGMVYTC-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.65
Rot. Bonds5

About 2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide

2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide (PubChem CID 109303727) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
PubChem CID109303727
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C18H14Cl2N4O/c19-14-7-6-13(10-15(14)20)23-17(25)16-8-9-21-18(24-16)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,25)(H,21,22,24)
InChIKeyDGPJPQRMGMVYTC-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-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109303680
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109303743
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307006
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
methyl 3-[[2-(benzylamino)pyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109303705
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305822
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307500
N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304225

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide (CID 109303727) is 2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccnc(NCc2ccccc2)n1.
What is the InChIKey of 2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is DGPJPQRMGMVYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-7-6-13(10-15(14)20)23-17(25)16-8-9-21-18(24-16)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,25)(H,21,22,24).
What are the key properties of 2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide?
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-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-(3,4-dichlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).