5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C13H22N4O2 — CID 167875980

IUPAC5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CN2CCC(CCN)C2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-15-8-11(12(18)16(2)13(15)19)9-17-6-4-10(7-17)3-5-14/h8,10H,3-7,9,14H2,1-2H3
InChIKeyJUCZACKAJNFPGY-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.75
Rot. Bonds4

About 5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 167875980) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID167875980
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CN2CCC(CCN)C2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-15-8-11(12(18)16(2)13(15)19)9-17-6-4-10(7-17)3-5-14/h8,10H,3-7,9,14H2,1-2H3
InChIKeyJUCZACKAJNFPGY-UHFFFAOYSA-N
XLogP-0.75
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 120908866
5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60855846
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
1,3-dimethyl-5-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]pyrimidine-2,4-dione
CID 119126550
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
2-[1-[(2-bromophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728391
5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103625241

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 167875980) is 5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CN2CCC(CCN)C2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JUCZACKAJNFPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-15-8-11(12(18)16(2)13(15)19)9-17-6-4-10(7-17)3-5-14/h8,10H,3-7,9,14H2,1-2H3.
What are the key properties of 5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 167875980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).