3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide

C18H16N4O2 — CID 134330683

IUPAC3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide
SMILESNCc1ccnc(Oc2cccc(C(=O)Nc3ccccc3)c2)n1
InChIInChI=1S/C18H16N4O2/c19-12-15-9-10-20-18(22-15)24-16-8-4-5-13(11-16)17(23)21-14-6-2-1-3-7-14/h1-11H,12,19H2,(H,21,23)
InChIKeyNVCDBVFQEOUQBB-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.98
Rot. Bonds5

About 3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide

3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide (PubChem CID 134330683) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide
PubChem CID134330683
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide
SMILESNCc1ccnc(Oc2cccc(C(=O)Nc3ccccc3)c2)n1
InChIInChI=1S/C18H16N4O2/c19-12-15-9-10-20-18(22-15)24-16-8-4-5-13(11-16)17(23)21-14-6-2-1-3-7-14/h1-11H,12,19H2,(H,21,23)
InChIKeyNVCDBVFQEOUQBB-UHFFFAOYSA-N
XLogP2.98
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 368697
CID 368697
CID 5311510
CID 5311510
CID 5352127
CID 5352127
CID 16108977
CID 16108977
CID 58548303
CID 58548303
CID 9890357
CID 9890357
CID 16108986
CID 16108986
CID 16108987
CID 16108987
CID 16108995
CID 16108995
CID 16108996
CID 16108996
CID 16108997
CID 16108997
CID 23646931
CID 23646931

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide?
The IUPAC name of 3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide (CID 134330683) is 3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide.
What is the SMILES notation for 3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide?
The canonical SMILES for 3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide is NCc1ccnc(Oc2cccc(C(=O)Nc3ccccc3)c2)n1.
What is the InChIKey of 3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide?
The InChIKey is NVCDBVFQEOUQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-12-15-9-10-20-18(22-15)24-16-8-4-5-13(11-16)17(23)21-14-6-2-1-3-7-14/h1-11H,12,19H2,(H,21,23).
What are the key properties of 3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide?
3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide has a molecular weight of 320.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)pyrimidin-2-yl]oxy-N-phenylbenzamide is sourced from PubChem (CID 134330683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).