2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide

C19H17ClN4O — CID 109255380

IUPAC2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C19H17ClN4O/c20-17-8-6-15(7-9-17)10-21-18(25)16-12-23-19(24-13-16)22-11-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24)
InChIKeyMMZATBLMSGOSDP-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.67
Rot. Bonds6

About 2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide

2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109255380) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109255380
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C19H17ClN4O/c20-17-8-6-15(7-9-17)10-21-18(25)16-12-23-19(24-13-16)22-11-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24)
InChIKeyMMZATBLMSGOSDP-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109257600
N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109255356
4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 53108683
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
CID 72860213
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257611

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide (CID 109255380) is 2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cnc(NCc2ccccc2)nc1.
What is the InChIKey of 2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is MMZATBLMSGOSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-17-8-6-15(7-9-17)10-21-18(25)16-12-23-19(24-13-16)22-11-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide?
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).