6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109350591

IUPAC6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1Nc1cc(C(=O)NCCc2ccccc2)ncn1
InChIInChI=1S/C20H19ClN4O/c1-14-16(21)8-5-9-17(14)25-19-12-18(23-13-24-19)20(26)22-11-10-15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAIHLFZAUNSECRE-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.15
Rot. Bonds6

About 6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109350591) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109350591
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1Nc1cc(C(=O)NCCc2ccccc2)ncn1
InChIInChI=1S/C20H19ClN4O/c1-14-16(21)8-5-9-17(14)25-19-12-18(23-13-24-19)20(26)22-11-10-15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAIHLFZAUNSECRE-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dimethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350580
N-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340116
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
6-N-(3-chloro-2-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098456
N-tert-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109353885
6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346387
N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109348624
N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109352394
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350566
N-[2-(3-chlorophenyl)ethyl]-6-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109355479
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109347033

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109350591) is 6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is Cc1c(Cl)cccc1Nc1cc(C(=O)NCCc2ccccc2)ncn1.
What is the InChIKey of 6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is AIHLFZAUNSECRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-16(21)8-5-9-17(14)25-19-12-18(23-13-24-19)20(26)22-11-10-15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).