1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione

C14H20N4O2 — CID 50958764

IUPAC1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione
SMILESCCCc1nc(C)cc(NCCN2C(=O)CCC2=O)n1
InChIInChI=1S/C14H20N4O2/c1-3-4-11-16-10(2)9-12(17-11)15-7-8-18-13(19)5-6-14(18)20/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJYWHQOXKRQZTMN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.30
Rot. Bonds6

About 1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione

1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione (PubChem CID 50958764) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione
PubChem CID50958764
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione
SMILESCCCc1nc(C)cc(NCCN2C(=O)CCC2=O)n1
InChIInChI=1S/C14H20N4O2/c1-3-4-11-16-10(2)9-12(17-11)15-7-8-18-13(19)5-6-14(18)20/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJYWHQOXKRQZTMN-UHFFFAOYSA-N
XLogP1.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 80655042
1-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]azocan-2-one
CID 80663824
2-heptyl-6-methyl-N-octylpyrimidin-4-amine
CID 58693161
(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97136277
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657242
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]azepane-2,7-dione
CID 80654260
2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80654507
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione (CID 50958764) is 1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione is CCCc1nc(C)cc(NCCN2C(=O)CCC2=O)n1.
What is the InChIKey of 1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is JYWHQOXKRQZTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-4-11-16-10(2)9-12(17-11)15-7-8-18-13(19)5-6-14(18)20/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione?
1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 50958764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).