6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C20H21N5O3 — CID 109371405

IUPAC6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)NCc3ccncc3)nc(C)n2)c1
InChIInChI=1S/C20H21N5O3/c1-13-23-17(20(26)22-12-14-6-8-21-9-7-14)11-19(24-13)25-16-10-15(27-2)4-5-18(16)28-3/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyJDINSMFSSFOWNC-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.87
Rot. Bonds7

About 6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109371405) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109371405
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)NCc3ccncc3)nc(C)n2)c1
InChIInChI=1S/C20H21N5O3/c1-13-23-17(20(26)22-12-14-6-8-21-9-7-14)11-19(24-13)25-16-10-15(27-2)4-5-18(16)28-3/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyJDINSMFSSFOWNC-UHFFFAOYSA-N
XLogP2.87
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368893
6-(5-chloro-2-methoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371152
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371330
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109370459
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109371210
6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370485
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368320
6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109371405) is 6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is COc1ccc(OC)c(Nc2cc(C(=O)NCc3ccncc3)nc(C)n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is JDINSMFSSFOWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-23-17(20(26)22-12-14-6-8-21-9-7-14)11-19(24-13)25-16-10-15(27-2)4-5-18(16)28-3/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).