2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one

C15H18N4O2 — CID 136844568

IUPAC2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2COCCN2Cc2cccnc2)cc(=O)[nH]1
InChIInChI=1S/C15H18N4O2/c1-11-17-13(7-15(20)18-11)14-10-21-6-5-19(14)9-12-3-2-4-16-8-12/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,17,18,20)
InChIKeyHGXVNSPNGRGKPA-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.05
Rot. Bonds3

About 2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136844568) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
PubChem CID136844568
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2COCCN2Cc2cccnc2)cc(=O)[nH]1
InChIInChI=1S/C15H18N4O2/c1-11-17-13(7-15(20)18-11)14-10-21-6-5-19(14)9-12-3-2-4-16-8-12/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,17,18,20)
InChIKeyHGXVNSPNGRGKPA-UHFFFAOYSA-N
XLogP1.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one (CID 136844568) is 2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one is Cc1nc(C2COCCN2Cc2cccnc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is HGXVNSPNGRGKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-17-13(7-15(20)18-11)14-10-21-6-5-19(14)9-12-3-2-4-16-8-12/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,17,18,20).
What are the key properties of 2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 286.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136844568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).