3-[(4-aminopyrimidin-2-yl)amino]benzamide

C11H11N5O — CID 107811877

IUPAC3-[(4-aminopyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2nccc(N)n2)c1
InChIInChI=1S/C11H11N5O/c12-9-4-5-14-11(16-9)15-8-3-1-2-7(6-8)10(13)17/h1-6H,(H2,13,17)(H3,12,14,15,16)
InChIKeyRHHSJCRDYRKHSD-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.90
Rot. Bonds3

About 3-[(4-aminopyrimidin-2-yl)amino]benzamide

3-[(4-aminopyrimidin-2-yl)amino]benzamide (PubChem CID 107811877) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-[(4-aminopyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(4-aminopyrimidin-2-yl)amino]benzamide
PubChem CID107811877
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name3-[(4-aminopyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2nccc(N)n2)c1
InChIInChI=1S/C11H11N5O/c12-9-4-5-14-11(16-9)15-8-3-1-2-7(6-8)10(13)17/h1-6H,(H2,13,17)(H3,12,14,15,16)
InChIKeyRHHSJCRDYRKHSD-UHFFFAOYSA-N
XLogP0.90
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2-hydroxy-6-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 25138020
3-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]benzamide
CID 59588181
3-[[4-(3-hydroxy-4-methylanilino)pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 57392873
3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 129010764
3-[[4-(2-bromo-5-hydroxyanilino)pyrimidin-2-yl]amino]benzamide
CID 25138016
3-[(5-aminopyrazin-2-yl)amino]benzamide
CID 114003795
3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide
CID 69192929
3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 90489120
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
3-[[4-[5-(methanesulfonamido)-2-methylanilino]pyrimidin-2-yl]amino]benzamide
CID 25138027

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopyrimidin-2-yl)amino]benzamide?
The IUPAC name of 3-[(4-aminopyrimidin-2-yl)amino]benzamide (CID 107811877) is 3-[(4-aminopyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for 3-[(4-aminopyrimidin-2-yl)amino]benzamide?
The canonical SMILES for 3-[(4-aminopyrimidin-2-yl)amino]benzamide is NC(=O)c1cccc(Nc2nccc(N)n2)c1.
What is the InChIKey of 3-[(4-aminopyrimidin-2-yl)amino]benzamide?
The InChIKey is RHHSJCRDYRKHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-9-4-5-14-11(16-9)15-8-3-1-2-7(6-8)10(13)17/h1-6H,(H2,13,17)(H3,12,14,15,16).
What are the key properties of 3-[(4-aminopyrimidin-2-yl)amino]benzamide?
3-[(4-aminopyrimidin-2-yl)amino]benzamide has a molecular weight of 229.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 107811877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).