N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide

C20H19ClN4O3 — CID 109257453

IUPACN-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)c1
InChIInChI=1S/C20H19ClN4O3/c1-27-15-7-8-18(28-2)17(9-15)25-20-23-11-14(12-24-20)19(26)22-10-13-5-3-4-6-16(13)21/h3-9,11-12H,10H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyDIQBVSKQSRGXAX-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.82
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide

N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109257453) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109257453
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)c1
InChIInChI=1S/C20H19ClN4O3/c1-27-15-7-8-18(28-2)17(9-15)25-20-23-11-14(12-24-20)19(26)22-10-13-5-3-4-6-16(13)21/h3-9,11-12H,10H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyDIQBVSKQSRGXAX-UHFFFAOYSA-N
XLogP3.82
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109170764
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109256961
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309
2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257443
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
2-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256158
2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257864
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257457

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide (CID 109257453) is N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide is COc1ccc(OC)c(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is DIQBVSKQSRGXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-27-15-7-8-18(28-2)17(9-15)25-20-23-11-14(12-24-20)19(26)22-10-13-5-3-4-6-16(13)21/h3-9,11-12H,10H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).