6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

C13H22N4O2 — CID 5235381

IUPAC6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(NCCCN(C)C)cc(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-5-8-17-11(14-7-6-9-15(2)3)10-12(18)16(4)13(17)19/h5,10,14H,1,6-9H2,2-4H3
InChIKeyFBPLKHFCYZPAEN-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.10
Rot. Bonds7

About 6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 5235381) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID5235381
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC Name6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(NCCCN(C)C)cc(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-5-8-17-11(14-7-6-9-15(2)3)10-12(18)16(4)13(17)19/h5,10,14H,1,6-9H2,2-4H3
InChIKeyFBPLKHFCYZPAEN-UHFFFAOYSA-N
XLogP0.10
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione (CID 5235381) is 6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(NCCCN(C)C)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is FBPLKHFCYZPAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-8-17-11(14-7-6-9-15(2)3)10-12(18)16(4)13(17)19/h5,10,14H,1,6-9H2,2-4H3.
What are the key properties of 6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 266.35 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 5235381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).