1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione

C15H26N4O2 — CID 43749005

IUPAC1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione
SMILESCC(CN1CCCCC1)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H26N4O2/c1-12(10-19-7-5-4-6-8-19)16-9-13-11-17(2)15(21)18(3)14(13)20/h11-12,16H,4-10H2,1-3H3
InChIKeyWZHRWVUEJILEQB-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.05
Rot. Bonds5

About 1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione (PubChem CID 43749005) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione
PubChem CID43749005
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione
SMILESCC(CN1CCCCC1)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H26N4O2/c1-12(10-19-7-5-4-6-8-19)16-9-13-11-17(2)15(21)18(3)14(13)20/h11-12,16H,4-10H2,1-3H3
InChIKeyWZHRWVUEJILEQB-UHFFFAOYSA-N
XLogP0.05
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione (CID 43749005) is 1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione is CC(CN1CCCCC1)NCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is WZHRWVUEJILEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(10-19-7-5-4-6-8-19)16-9-13-11-17(2)15(21)18(3)14(13)20/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of 0.05, 5 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-piperidin-1-ylpropan-2-ylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 43749005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).