2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol

C17H20ClN3O2 — CID 133388459

IUPAC2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol
SMILESCc1nc(Cl)cc(N2CCOCC2CC(O)c2ccccc2)n1
InChIInChI=1S/C17H20ClN3O2/c1-12-19-16(18)10-17(20-12)21-7-8-23-11-14(21)9-15(22)13-5-3-2-4-6-13/h2-6,10,14-15,22H,7-9,11H2,1H3
InChIKeyHRVPRDADIMBQOO-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.77
Rot. Bonds4

About 2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol

2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol (PubChem CID 133388459) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol
PubChem CID133388459
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol
SMILESCc1nc(Cl)cc(N2CCOCC2CC(O)c2ccccc2)n1
InChIInChI=1S/C17H20ClN3O2/c1-12-19-16(18)10-17(20-12)21-7-8-23-11-14(21)9-15(22)13-5-3-2-4-6-13/h2-6,10,14-15,22H,7-9,11H2,1H3
InChIKeyHRVPRDADIMBQOO-UHFFFAOYSA-N
XLogP2.77
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol (CID 133388459) is 2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol is Cc1nc(Cl)cc(N2CCOCC2CC(O)c2ccccc2)n1.
What is the InChIKey of 2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol?
The InChIKey is HRVPRDADIMBQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12-19-16(18)10-17(20-12)21-7-8-23-11-14(21)9-15(22)13-5-3-2-4-6-13/h2-6,10,14-15,22H,7-9,11H2,1H3.
What are the key properties of 2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol?
2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol has a molecular weight of 333.82 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol is sourced from PubChem (CID 133388459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).