3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride

C19H19ClN4O2 — CID 140883296

IUPAC3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride
SMILESCl.NCc1cc(Oc2cccc(C(=O)NCc3ccccc3)c2)ncn1
InChIInChI=1S/C19H18N4O2.ClH/c20-11-16-10-18(23-13-22-16)25-17-8-4-7-15(9-17)19(24)21-12-14-5-2-1-3-6-14;/h1-10,13H,11-12,20H2,(H,21,24);1H
InChIKeyFNYIWWUJBVAAEM-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.08
Rot. Bonds6

About 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride

3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride (PubChem CID 140883296) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride
PubChem CID140883296
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride
SMILESCl.NCc1cc(Oc2cccc(C(=O)NCc3ccccc3)c2)ncn1
InChIInChI=1S/C19H18N4O2.ClH/c20-11-16-10-18(23-13-22-16)25-17-8-4-7-15(9-17)19(24)21-12-14-5-2-1-3-6-14;/h1-10,13H,11-12,20H2,(H,21,24);1H
InChIKeyFNYIWWUJBVAAEM-UHFFFAOYSA-N
XLogP3.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride?
The IUPAC name of 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride (CID 140883296) is 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride.
What is the SMILES notation for 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride?
The canonical SMILES for 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride is Cl.NCc1cc(Oc2cccc(C(=O)NCc3ccccc3)c2)ncn1.
What is the InChIKey of 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride?
The InChIKey is FNYIWWUJBVAAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.ClH/c20-11-16-10-18(23-13-22-16)25-17-8-4-7-15(9-17)19(24)21-12-14-5-2-1-3-6-14;/h1-10,13H,11-12,20H2,(H,21,24);1H.
What are the key properties of 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride?
3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride has a molecular weight of 370.84 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)pyrimidin-4-yl]oxy-N-benzylbenzamide;hydrochloride is sourced from PubChem (CID 140883296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).