6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione

C9H14N4O2 — CID 122560295

IUPAC6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESNC1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C9H14N4O2/c10-6-1-2-13(4-6)5-7-3-8(14)12-9(15)11-7/h3,6H,1-2,4-5,10H2,(H2,11,12,14,15)
InChIKeyJSIHHVAJDYDKHM-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.40
Rot. Bonds2

About 6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione

6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 122560295) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID122560295
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESNC1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C9H14N4O2/c10-6-1-2-13(4-6)5-7-3-8(14)12-9(15)11-7/h3,6H,1-2,4-5,10H2,(H2,11,12,14,15)
InChIKeyJSIHHVAJDYDKHM-UHFFFAOYSA-N
XLogP-1.40
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 124907248
6-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione;hydrochloride
CID 139026489
6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95549733
6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 10661952
1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
CID 120837543
1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 102550613
(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine
CID 94339879
6-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 126450028
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526
6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione
CID 70749258
1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 62068422
1-[(4-bromothiophen-3-yl)methyl]pyrrolidin-3-amine
CID 130524735

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione (CID 122560295) is 6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione is NC1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JSIHHVAJDYDKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-6-1-2-13(4-6)5-7-3-8(14)12-9(15)11-7/h3,6H,1-2,4-5,10H2,(H2,11,12,14,15).
What are the key properties of 6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 210.24 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122560295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).