2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide

C20H19ClN4O — CID 109259447

IUPAC2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c1-14-7-8-17(11-18(14)21)25-20-23-12-16(13-24-20)19(26)22-10-9-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyDNTAAXCQNGDZMQ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.15
Rot. Bonds6

About 2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide

2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109259447) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109259447
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c1-14-7-8-17(11-18(14)21)25-20-23-12-16(13-24-20)19(26)22-10-9-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyDNTAAXCQNGDZMQ-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

2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257443
2-(3-chloro-4-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109262632
2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474
2-(3-chloro-4-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
CID 109251104
2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256422
2-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268328
N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259496

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 109259447) is 2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)NCCc3ccccc3)cn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is DNTAAXCQNGDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-7-8-17(11-18(14)21)25-20-23-12-16(13-24-20)19(26)22-10-9-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide?
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-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 2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).