3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol

C15H17N3O2 — CID 155516260

IUPAC3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol
SMILESC[C@H]1COCCN1c1ccnc(-c2cccc(O)c2)n1
InChIInChI=1S/C15H17N3O2/c1-11-10-20-8-7-18(11)14-5-6-16-15(17-14)12-3-2-4-13(19)9-12/h2-6,9,11,19H,7-8,10H2,1H3/t11-/m0/s1
InChIKeyYZDUIDVVJAJJQQ-NSHDSACASA-N
MW271.32 g/mol
LogP2.07
Rot. Bonds2

About 3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol

3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol (PubChem CID 155516260) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol
PubChem CID155516260
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol
SMILESC[C@H]1COCCN1c1ccnc(-c2cccc(O)c2)n1
InChIInChI=1S/C15H17N3O2/c1-11-10-20-8-7-18(11)14-5-6-16-15(17-14)12-3-2-4-13(19)9-12/h2-6,9,11,19H,7-8,10H2,1H3/t11-/m0/s1
InChIKeyYZDUIDVVJAJJQQ-NSHDSACASA-N
XLogP2.07
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol (CID 155516260) is 3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol is C[C@H]1COCCN1c1ccnc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol?
The InChIKey is YZDUIDVVJAJJQQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-10-20-8-7-18(11)14-5-6-16-15(17-14)12-3-2-4-13(19)9-12/h2-6,9,11,19H,7-8,10H2,1H3/t11-/m0/s1.
What are the key properties of 3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol?
3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol has a molecular weight of 271.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol is sourced from PubChem (CID 155516260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).