2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide

C18H17N5O — CID 145223554

IUPAC2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide
SMILESNCc1cc(Nc2cccc(-c3ccccc3C(N)=O)c2)ncn1
InChIInChI=1S/C18H17N5O/c19-10-14-9-17(22-11-21-14)23-13-5-3-4-12(8-13)15-6-1-2-7-16(15)18(20)24/h1-9,11H,10,19H2,(H2,20,24)(H,21,22,23)
InChIKeyLQYMYSAJUZZACT-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.44
Rot. Bonds5

About 2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide

2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide (PubChem CID 145223554) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide
PubChem CID145223554
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide
SMILESNCc1cc(Nc2cccc(-c3ccccc3C(N)=O)c2)ncn1
InChIInChI=1S/C18H17N5O/c19-10-14-9-17(22-11-21-14)23-13-5-3-4-12(8-13)15-6-1-2-7-16(15)18(20)24/h1-9,11H,10,19H2,(H2,20,24)(H,21,22,23)
InChIKeyLQYMYSAJUZZACT-UHFFFAOYSA-N
XLogP2.44
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(3,4-dichloroanilino)pyrimidin-4-yl]benzamide
CID 46703969
2-(4-anilinophenyl)benzamide
CID 174939572
2-(3-phenylanilino)benzamide
CID 44596232
N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine
CID 174299502
2-[3-[[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]benzamide
CID 142799700
3-[6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
CID 59982989
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
2,2-dimethyl-3-[4-[[6-(2-phenylphenyl)pyrimidin-4-yl]amino]phenyl]propanamide
CID 68915522
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
6-(3-anilinophenyl)pyridine-3-carboxamide
CID 174715088
4-[2-[3-[[5-(aminomethyl)-2-pyridinyl]amino]phenyl]ethyl]quinazoline-8-carboxamide
CID 91490062

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide?
The IUPAC name of 2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide (CID 145223554) is 2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide.
What is the SMILES notation for 2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide?
The canonical SMILES for 2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide is NCc1cc(Nc2cccc(-c3ccccc3C(N)=O)c2)ncn1.
What is the InChIKey of 2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide?
The InChIKey is LQYMYSAJUZZACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-10-14-9-17(22-11-21-14)23-13-5-3-4-12(8-13)15-6-1-2-7-16(15)18(20)24/h1-9,11H,10,19H2,(H2,20,24)(H,21,22,23).
What are the key properties of 2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide?
2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide has a molecular weight of 319.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(aminomethyl)pyrimidin-4-yl]amino]phenyl]benzamide is sourced from PubChem (CID 145223554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).