[3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol

C20H24N4O2 — CID 25111643

IUPAC[3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nc(C3=CCNCC3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H24N4O2/c25-14-15-2-1-3-17(12-15)20-22-18(16-4-6-21-7-5-16)13-19(23-20)24-8-10-26-11-9-24/h1-4,12-13,21,25H,5-11,14H2
InChIKeyMOZRCDUEUICHDE-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.85
Rot. Bonds4

About [3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol

[3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol (PubChem CID 25111643) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol
PubChem CID25111643
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nc(C3=CCNCC3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H24N4O2/c25-14-15-2-1-3-17(12-15)20-22-18(16-4-6-21-7-5-16)13-19(23-20)24-8-10-26-11-9-24/h1-4,12-13,21,25H,5-11,14H2
InChIKeyMOZRCDUEUICHDE-UHFFFAOYSA-N
XLogP1.85
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol (CID 25111643) is [3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol is OCc1cccc(-c2nc(C3=CCNCC3)cc(N3CCOCC3)n2)c1.
What is the InChIKey of [3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol?
The InChIKey is MOZRCDUEUICHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-14-15-2-1-3-17(12-15)20-22-18(16-4-6-21-7-5-16)13-19(23-20)24-8-10-26-11-9-24/h1-4,12-13,21,25H,5-11,14H2.
What are the key properties of [3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol?
[3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol has a molecular weight of 352.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 25111643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).