3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol

C20H21N5O2 — CID 52946248

IUPAC3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(NCc3cccnc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H21N5O2/c26-17-5-1-4-16(11-17)18-12-19(22-14-15-3-2-6-21-13-15)24-20(23-18)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10,14H2,(H,22,23,24)
InChIKeyVHDXNUVVKQEEAQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.69
Rot. Bonds5

About 3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol

3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol (PubChem CID 52946248) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol
PubChem CID52946248
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol
SMILESOc1cccc(-c2cc(NCc3cccnc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H21N5O2/c26-17-5-1-4-16(11-17)18-12-19(22-14-15-3-2-6-21-13-15)24-20(23-18)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10,14H2,(H,22,23,24)
InChIKeyVHDXNUVVKQEEAQ-UHFFFAOYSA-N
XLogP2.69
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol?
The IUPAC name of 3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol (CID 52946248) is 3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol?
The canonical SMILES for 3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol is Oc1cccc(-c2cc(NCc3cccnc3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol?
The InChIKey is VHDXNUVVKQEEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-17-5-1-4-16(11-17)18-12-19(22-14-15-3-2-6-21-13-15)24-20(23-18)25-7-9-27-10-8-25/h1-6,11-13,26H,7-10,14H2,(H,22,23,24).
What are the key properties of 3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol?
3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol has a molecular weight of 363.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-yl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 52946248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).