1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione

C14H24N4O2 — CID 60705556

IUPAC1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione
SMILESCn1c(CNCCCN2CCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O2/c1-16-12(10-13(19)17(2)14(16)20)11-15-6-5-9-18-7-3-4-8-18/h10,15H,3-9,11H2,1-2H3
InChIKeyYXIPCBDJAWUVIN-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.34
Rot. Bonds6

About 1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione (PubChem CID 60705556) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione
PubChem CID60705556
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione
SMILESCn1c(CNCCCN2CCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O2/c1-16-12(10-13(19)17(2)14(16)20)11-15-6-5-9-18-7-3-4-8-18/h10,15H,3-9,11H2,1-2H3
InChIKeyYXIPCBDJAWUVIN-UHFFFAOYSA-N
XLogP-0.34
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione (CID 60705556) is 1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione is Cn1c(CNCCCN2CCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is YXIPCBDJAWUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-16-12(10-13(19)17(2)14(16)20)11-15-6-5-9-18-7-3-4-8-18/h10,15H,3-9,11H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of -0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 60705556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).