3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one

C15H20N6O2 — CID 127365592

IUPAC3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCOc1cc(C)nc(NC2CCCN(c3ccn(C)n3)C2=O)n1
InChIInChI=1S/C15H20N6O2/c1-10-9-13(23-3)18-15(16-10)17-11-5-4-7-21(14(11)22)12-6-8-20(2)19-12/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyMZKQWKITTRSFIF-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.13
Rot. Bonds4

About 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one

3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 127365592) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
PubChem CID127365592
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILESCOc1cc(C)nc(NC2CCCN(c3ccn(C)n3)C2=O)n1
InChIInChI=1S/C15H20N6O2/c1-10-9-13(23-3)18-15(16-10)17-11-5-4-7-21(14(11)22)12-6-8-20(2)19-12/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyMZKQWKITTRSFIF-UHFFFAOYSA-N
XLogP1.13
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one (CID 127365592) is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one.
What is the SMILES notation for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The canonical SMILES for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one is COc1cc(C)nc(NC2CCCN(c3ccn(C)n3)C2=O)n1.
What is the InChIKey of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
The InChIKey is MZKQWKITTRSFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-9-13(23-3)18-15(16-10)17-11-5-4-7-21(14(11)22)12-6-8-20(2)19-12/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,17,18).
What are the key properties of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one?
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 316.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 127365592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).