2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

C15H17ClN4O2 — CID 136844262

IUPAC2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(Cc3ccc(Cl)cn3)CCO2)n1
InChIInChI=1S/C15H17ClN4O2/c1-10-6-14(21)19-15(18-10)13-9-20(4-5-22-13)8-12-3-2-11(16)7-17-12/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,18,19,21)
InChIKeyCLCODIUXRVDILH-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.70
Rot. Bonds3

About 2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136844262) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136844262
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(Cc3ccc(Cl)cn3)CCO2)n1
InChIInChI=1S/C15H17ClN4O2/c1-10-6-14(21)19-15(18-10)13-9-20(4-5-22-13)8-12-3-2-11(16)7-17-12/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,18,19,21)
InChIKeyCLCODIUXRVDILH-UHFFFAOYSA-N
XLogP1.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 136844262) is 2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CN(Cc3ccc(Cl)cn3)CCO2)n1.
What is the InChIKey of 2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CLCODIUXRVDILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-10-6-14(21)19-15(18-10)13-9-20(4-5-22-13)8-12-3-2-11(16)7-17-12/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,18,19,21).
What are the key properties of 2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 320.78 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136844262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).