4-(pyrimidin-4-ylamino)benzamide

C11H10N4O — CID 59225955

IUPAC4-(pyrimidin-4-ylamino)benzamide
SMILESNC(=O)c1ccc(Nc2ccncn2)cc1
InChIInChI=1S/C11H10N4O/c12-11(16)8-1-3-9(4-2-8)15-10-5-6-13-7-14-10/h1-7H,(H2,12,16)(H,13,14,15)
InChIKeyKZRLONVLCSQCGQ-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.32
Rot. Bonds3

About 4-(pyrimidin-4-ylamino)benzamide

4-(pyrimidin-4-ylamino)benzamide (PubChem CID 59225955) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-(pyrimidin-4-ylamino)benzamide.

Molecular Properties

Compound Name4-(pyrimidin-4-ylamino)benzamide
PubChem CID59225955
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-(pyrimidin-4-ylamino)benzamide
SMILESNC(=O)c1ccc(Nc2ccncn2)cc1
InChIInChI=1S/C11H10N4O/c12-11(16)8-1-3-9(4-2-8)15-10-5-6-13-7-14-10/h1-7H,(H2,12,16)(H,13,14,15)
InChIKeyKZRLONVLCSQCGQ-UHFFFAOYSA-N
XLogP1.32
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-4-ylamino)benzamide?
The IUPAC name of 4-(pyrimidin-4-ylamino)benzamide (CID 59225955) is 4-(pyrimidin-4-ylamino)benzamide.
What is the SMILES notation for 4-(pyrimidin-4-ylamino)benzamide?
The canonical SMILES for 4-(pyrimidin-4-ylamino)benzamide is NC(=O)c1ccc(Nc2ccncn2)cc1.
What is the InChIKey of 4-(pyrimidin-4-ylamino)benzamide?
The InChIKey is KZRLONVLCSQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-11(16)8-1-3-9(4-2-8)15-10-5-6-13-7-14-10/h1-7H,(H2,12,16)(H,13,14,15).
What are the key properties of 4-(pyrimidin-4-ylamino)benzamide?
4-(pyrimidin-4-ylamino)benzamide has a molecular weight of 214.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-4-ylamino)benzamide is sourced from PubChem (CID 59225955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).