N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide

C17H22N4O2 — CID 109310878

IUPACN,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C17H22N4O2/c1-5-21(6-2)16(22)13-9-10-18-17(19-13)20-14-11-12(3)7-8-15(14)23-4/h7-11H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyBPXNDLCHCKKJEI-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.02
Rot. Bonds6

About N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide

N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109310878) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
PubChem CID109310878
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C17H22N4O2/c1-5-21(6-2)16(22)13-9-10-18-17(19-13)20-14-11-12(3)7-8-15(14)23-4/h7-11H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyBPXNDLCHCKKJEI-UHFFFAOYSA-N
XLogP3.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313029
2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304398
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304129
2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109309895
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109316717
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
2-(2,4-difluoroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317953

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide (CID 109310878) is N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide is CCN(CC)C(=O)c1ccnc(Nc2cc(C)ccc2OC)n1.
What is the InChIKey of N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is BPXNDLCHCKKJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-21(6-2)16(22)13-9-10-18-17(19-13)20-14-11-12(3)7-8-15(14)23-4/h7-11H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109310878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).