(4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone

C18H16N4O2 — CID 134539211

IUPAC(4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone
SMILESCOc1ccc(C(=O)c2cnc(NCc3ccccn3)nc2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-16-7-5-13(6-8-16)17(23)14-10-20-18(21-11-14)22-12-15-4-2-3-9-19-15/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyVCZLEUKDNDNGIU-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.72
Rot. Bonds6

About (4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone

(4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 134539211) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID134539211
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone
SMILESCOc1ccc(C(=O)c2cnc(NCc3ccccn3)nc2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-16-7-5-13(6-8-16)17(23)14-10-20-18(21-11-14)22-12-15-4-2-3-9-19-15/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyVCZLEUKDNDNGIU-UHFFFAOYSA-N
XLogP2.72
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone (CID 134539211) is (4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone is COc1ccc(C(=O)c2cnc(NCc3ccccn3)nc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is VCZLEUKDNDNGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-16-7-5-13(6-8-16)17(23)14-10-20-18(21-11-14)22-12-15-4-2-3-9-19-15/h2-11H,12H2,1H3,(H,20,21,22).
What are the key properties of (4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone?
(4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 320.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 134539211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).