4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol

C15H16ClN3O2 — CID 174507871

IUPAC4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol
SMILESCc1nc(N2CCOCC2)ncc1-c1cc(Cl)ccc1O
InChIInChI=1S/C15H16ClN3O2/c1-10-13(12-8-11(16)2-3-14(12)20)9-17-15(18-10)19-4-6-21-7-5-19/h2-3,8-9,20H,4-7H2,1H3
InChIKeyNQKDHKSUYGJNDU-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.65
Rot. Bonds2

About 4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol

4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol (PubChem CID 174507871) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol
PubChem CID174507871
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol
SMILESCc1nc(N2CCOCC2)ncc1-c1cc(Cl)ccc1O
InChIInChI=1S/C15H16ClN3O2/c1-10-13(12-8-11(16)2-3-14(12)20)9-17-15(18-10)19-4-6-21-7-5-19/h2-3,8-9,20H,4-7H2,1H3
InChIKeyNQKDHKSUYGJNDU-UHFFFAOYSA-N
XLogP2.65
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol?
The IUPAC name of 4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol (CID 174507871) is 4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol.
What is the SMILES notation for 4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol?
The canonical SMILES for 4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol is Cc1nc(N2CCOCC2)ncc1-c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol?
The InChIKey is NQKDHKSUYGJNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10-13(12-8-11(16)2-3-14(12)20)9-17-15(18-10)19-4-6-21-7-5-19/h2-3,8-9,20H,4-7H2,1H3.
What are the key properties of 4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol?
4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol has a molecular weight of 305.76 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol is sourced from PubChem (CID 174507871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).