5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide

C19H18N4O2 — CID 135433937

IUPAC5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide
SMILESCc1ccc(Nc2nccc(-c3ccc(O)c(C(N)=O)c3)n2)cc1C
InChIInChI=1S/C19H18N4O2/c1-11-3-5-14(9-12(11)2)22-19-21-8-7-16(23-19)13-4-6-17(24)15(10-13)18(20)25/h3-10,24H,1-2H3,(H2,20,25)(H,21,22,23)
InChIKeyFGRYUTWEHPPKOX-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.31
Rot. Bonds4

About 5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide

5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide (PubChem CID 135433937) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide
PubChem CID135433937
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide
SMILESCc1ccc(Nc2nccc(-c3ccc(O)c(C(N)=O)c3)n2)cc1C
InChIInChI=1S/C19H18N4O2/c1-11-3-5-14(9-12(11)2)22-19-21-8-7-16(23-19)13-4-6-17(24)15(10-13)18(20)25/h3-10,24H,1-2H3,(H2,20,25)(H,21,22,23)
InChIKeyFGRYUTWEHPPKOX-UHFFFAOYSA-N
XLogP3.31
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Lck inhibitor 2
CID 25138012
3-({4-[(3-Hydroxyphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138013
3-({4-[(3-Hydroxy-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138014
3-((4-((3-Hydroxy-4-methylphenyl)amino)pyrimidin-2-yl)amino)benzamide
CID 25138015
3-[(4-{[5-Hydroxy-2-(propan-2-yl)phenyl]amino}pyrimidin-2-yl)amino]benzamide
CID 25138017
4-[[4-(4-Methoxyphenyl)pyrimidin-2-yl]amino]benzamide
CID 137656865
4-[[4-(4-Fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]benzoic acid
CID 145977291
US10450297, Example 396
CID 57584667
2-Methoxy-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoic acid
CID 73294804
N-[4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 117972460
2,4-dihydroxy-N-[4-(5-propylpyrimidin-4-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 117972462
N-[4-[6-(ethylamino)pyrimidin-4-yl]phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 117972537

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide (CID 135433937) is 5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide is Cc1ccc(Nc2nccc(-c3ccc(O)c(C(N)=O)c3)n2)cc1C.
What is the InChIKey of 5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide?
The InChIKey is FGRYUTWEHPPKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-3-5-14(9-12(11)2)22-19-21-8-7-16(23-19)13-4-6-17(24)15(10-13)18(20)25/h3-10,24H,1-2H3,(H2,20,25)(H,21,22,23).
What are the key properties of 5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide?
5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide has a molecular weight of 334.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethylanilino)pyrimidin-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 135433937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).