1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile

C16H25N5O2 — CID 31661414

IUPAC1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC(C)N1CCC(N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C16H25N5O2/c1-11(2)21-8-6-12(7-9-21)18(3)14-13(10-17)15(22)20(5)16(23)19(14)4/h11-12H,6-9H2,1-5H3
InChIKeyXREZRULDMNPBIR-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.26
Rot. Bonds3

About 1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 31661414) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID31661414
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC(C)N1CCC(N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C16H25N5O2/c1-11(2)21-8-6-12(7-9-21)18(3)14-13(10-17)15(22)20(5)16(23)19(14)4/h11-12H,6-9H2,1-5H3
InChIKeyXREZRULDMNPBIR-UHFFFAOYSA-N
XLogP0.26
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile (CID 31661414) is 1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile is CC(C)N1CCC(N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is XREZRULDMNPBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)21-8-6-12(7-9-21)18(3)14-13(10-17)15(22)20(5)16(23)19(14)4/h11-12H,6-9H2,1-5H3.
What are the key properties of 1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 31661414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).