2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide

C19H18N4O2 — CID 174930703

IUPAC2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1N(c1ccncn1)c1ccccc1OC
InChIInChI=1S/C19H18N4O2/c1-20-19(24)14-7-3-4-8-15(14)23(18-11-12-21-13-22-18)16-9-5-6-10-17(16)25-2/h3-13H,1-2H3,(H,20,24)
InChIKeyVXUOUUPRLXROGS-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide

2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide (PubChem CID 174930703) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide.

Molecular Properties

Compound Name2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide
PubChem CID174930703
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1N(c1ccncn1)c1ccccc1OC
InChIInChI=1S/C19H18N4O2/c1-20-19(24)14-7-3-4-8-15(14)23(18-11-12-21-13-22-18)16-9-5-6-10-17(16)25-2/h3-13H,1-2H3,(H,20,24)
InChIKeyVXUOUUPRLXROGS-UHFFFAOYSA-N
XLogP3.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide?
The IUPAC name of 2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide (CID 174930703) is 2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide.
What is the SMILES notation for 2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide?
The canonical SMILES for 2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide is CNC(=O)c1ccccc1N(c1ccncn1)c1ccccc1OC.
What is the InChIKey of 2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide?
The InChIKey is VXUOUUPRLXROGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-20-19(24)14-7-3-4-8-15(14)23(18-11-12-21-13-22-18)16-9-5-6-10-17(16)25-2/h3-13H,1-2H3,(H,20,24).
What are the key properties of 2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide?
2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide has a molecular weight of 334.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide is sourced from PubChem (CID 174930703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).