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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Related Compounds

3-(4-methyl-2-nitroanilino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 133341123
3-[[cyclopropyl(phenyl)methyl]amino]-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 91646998
2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide
CID 122137425
N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112695265
2-[(1S)-1-methoxyethyl]-4-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 99814262
(3R)-1-(1-methylpyrazol-3-yl)-3-[[(3R,4S)-4-methylthiolan-3-yl]amino]piperidin-2-one
CID 125142737
1-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 102558555
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 99812552
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 99812553
4-methoxy-6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 115626948
(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
CID 129446009
3-[(6-methoxy-3-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71991007

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).