4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide

C21H22N4O2 — CID 3232748

IUPAC4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
SMILESCOc1ccccc1CNc1ncncc1-c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C21H22N4O2/c1-25(2)21(26)16-10-8-15(9-11-16)18-13-22-14-24-20(18)23-12-17-6-4-5-7-19(17)27-3/h4-11,13-14H,12H2,1-3H3,(H,22,23,24)
InChIKeyWIJZCUJSSWASCM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.47
Rot. Bonds6

About 4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide

4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide (PubChem CID 3232748) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
PubChem CID3232748
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
SMILESCOc1ccccc1CNc1ncncc1-c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C21H22N4O2/c1-25(2)21(26)16-10-8-15(9-11-16)18-13-22-14-24-20(18)23-12-17-6-4-5-7-19(17)27-3/h4-11,13-14H,12H2,1-3H3,(H,22,23,24)
InChIKeyWIJZCUJSSWASCM-UHFFFAOYSA-N
XLogP3.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide (CID 3232748) is 4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide is COc1ccccc1CNc1ncncc1-c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is WIJZCUJSSWASCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(2)21(26)16-10-8-15(9-11-16)18-13-22-14-24-20(18)23-12-17-6-4-5-7-19(17)27-3/h4-11,13-14H,12H2,1-3H3,(H,22,23,24).
What are the key properties of 4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide?
4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 3232748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).