4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C13H18N4O3 — CID 133446572

IUPAC4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1O
InChIInChI=1S/C13H18N4O3/c1-8-4-5-17(7-10(8)18)11-9(6-14)12(19)16(3)13(20)15(11)2/h8,10,18H,4-5,7H2,1-3H3
InChIKeyYUZOWNPFZCVHPW-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.84
Rot. Bonds1

About 4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 133446572) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID133446572
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1O
InChIInChI=1S/C13H18N4O3/c1-8-4-5-17(7-10(8)18)11-9(6-14)12(19)16(3)13(20)15(11)2/h8,10,18H,4-5,7H2,1-3H3
InChIKeyYUZOWNPFZCVHPW-UHFFFAOYSA-N
XLogP-0.84
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133287265
4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133331953
1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile
CID 75448241
6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103896220
4-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 47089484
4-[4-(4-acetylphenyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 55485224
1,3-dimethyl-2,4-dioxo-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 17449906
1,3-dimethyl-2,4-dioxo-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 133308264
4-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 136535656
4-[4-(2-fluoroanilino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133322794
1,3-dimethyl-2,4-dioxo-6-(4-propanoyl-1,4-diazepan-1-yl)pyrimidine-5-carbonitrile
CID 56797238
1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
CID 95766111

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 133446572) is 4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1O.
What is the InChIKey of 4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is YUZOWNPFZCVHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8-4-5-17(7-10(8)18)11-9(6-14)12(19)16(3)13(20)15(11)2/h8,10,18H,4-5,7H2,1-3H3.
What are the key properties of 4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 278.31 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 133446572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).