1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione

C15H26N4O2 — CID 28717347

IUPAC1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione
SMILESCC(C)N1CCC(NCc2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C15H26N4O2/c1-11(2)19-7-5-13(6-8-19)16-9-12-10-17(3)15(21)18(4)14(12)20/h10-11,13,16H,5-9H2,1-4H3
InChIKeyOFQVXJNUSXYZJN-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.05
Rot. Bonds4

About 1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione (PubChem CID 28717347) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione
PubChem CID28717347
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione
SMILESCC(C)N1CCC(NCc2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C15H26N4O2/c1-11(2)19-7-5-13(6-8-19)16-9-12-10-17(3)15(21)18(4)14(12)20/h10-11,13,16H,5-9H2,1-4H3
InChIKeyOFQVXJNUSXYZJN-UHFFFAOYSA-N
XLogP0.05
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione (CID 28717347) is 1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione is CC(C)N1CCC(NCc2cn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione?
The InChIKey is OFQVXJNUSXYZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)19-7-5-13(6-8-19)16-9-12-10-17(3)15(21)18(4)14(12)20/h10-11,13,16H,5-9H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 28717347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).