4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one

C18H19ClN4O3 — CID 175385715

IUPAC4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(-c2cc(N3CCC(O)C3)nc(Cl)n2)cc1
InChIInChI=1S/C18H19ClN4O3/c19-18-20-15(9-16(21-18)22-6-5-14(24)10-22)12-1-3-13(4-2-12)23-7-8-26-11-17(23)25/h1-4,9,14,24H,5-8,10-11H2
InChIKeyCWWTWHPCUODTHQ-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.73
Rot. Bonds3

About 4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one

4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one (PubChem CID 175385715) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one
PubChem CID175385715
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(-c2cc(N3CCC(O)C3)nc(Cl)n2)cc1
InChIInChI=1S/C18H19ClN4O3/c19-18-20-15(9-16(21-18)22-6-5-14(24)10-22)12-1-3-13(4-2-12)23-7-8-26-11-17(23)25/h1-4,9,14,24H,5-8,10-11H2
InChIKeyCWWTWHPCUODTHQ-UHFFFAOYSA-N
XLogP1.73
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one (CID 175385715) is 4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(-c2cc(N3CCC(O)C3)nc(Cl)n2)cc1.
What is the InChIKey of 4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one?
The InChIKey is CWWTWHPCUODTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-18-20-15(9-16(21-18)22-6-5-14(24)10-22)12-1-3-13(4-2-12)23-7-8-26-11-17(23)25/h1-4,9,14,24H,5-8,10-11H2.
What are the key properties of 4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one?
4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one has a molecular weight of 374.83 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-4-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 175385715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).