1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione

C11H19N3O2 — CID 63811354

IUPAC1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione
SMILESCCCNCCCn1c(=O)ccn(C)c1=O
InChIInChI=1S/C11H19N3O2/c1-3-6-12-7-4-8-14-10(15)5-9-13(2)11(14)16/h5,9,12H,3-4,6-8H2,1-2H3
InChIKeyKRCNLZFSRKCGNM-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.06
Rot. Bonds6

About 1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione

1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione (PubChem CID 63811354) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione
PubChem CID63811354
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione
SMILESCCCNCCCn1c(=O)ccn(C)c1=O
InChIInChI=1S/C11H19N3O2/c1-3-6-12-7-4-8-14-10(15)5-9-13(2)11(14)16/h5,9,12H,3-4,6-8H2,1-2H3
InChIKeyKRCNLZFSRKCGNM-UHFFFAOYSA-N
XLogP-0.06
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-methoxyethylamino)propyl]-1-methylpyrimidine-2,4-dione
CID 63812509
1-ethyl-3-[3-(ethylamino)propyl]pyrimidine-2,4-dione
CID 63810571
3-[3-(2-methoxyethylamino)propyl]-1-propylpyrimidine-2,4-dione
CID 63812363
1-ethyl-3-[2-(pentylamino)ethyl]pyrimidine-2,4-dione
CID 63811359
6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
CID 62566200
3-(2-ethylhexyl)-1-methylpyrimidine-2,4-dione
CID 63812378
2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetaldehyde
CID 63801196
3-(2-ethylsulfanylethyl)-1-methylpyrimidine-2,4-dione
CID 115865604
4-(3-methyl-2,6-dioxopyrimidin-1-yl)butanethioamide
CID 63800844
3-butyl-1-ethylpyrimidine-2,4-dione
CID 63812534
3-(2-azidoethyl)-1-methylpyrimidine-2,4-dione
CID 63801377
4-methyl-1-[3-(propylamino)propyl]pyridin-2-one
CID 62961956

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione (CID 63811354) is 1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione is CCCNCCCn1c(=O)ccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione?
The InChIKey is KRCNLZFSRKCGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-6-12-7-4-8-14-10(15)5-9-13(2)11(14)16/h5,9,12H,3-4,6-8H2,1-2H3.
What are the key properties of 1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione?
1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(propylamino)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63811354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).