5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione

C9H12ClN3O2 — CID 66423367

IUPAC5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CCCN2)cc1Cl
InChIInChI=1S/C9H12ClN3O2/c10-7-5-13(9(15)12-8(7)14)4-6-2-1-3-11-6/h5-6,11H,1-4H2,(H,12,14,15)
InChIKeyXMRRELUKCOUIMV-UHFFFAOYSA-N
MW229.67 g/mol
LogP-0.06
Rot. Bonds2

About 5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione

5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 66423367) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID66423367
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CCCN2)cc1Cl
InChIInChI=1S/C9H12ClN3O2/c10-7-5-13(9(15)12-8(7)14)4-6-2-1-3-11-6/h5-6,11H,1-4H2,(H,12,14,15)
InChIKeyXMRRELUKCOUIMV-UHFFFAOYSA-N
XLogP-0.06
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66329320
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
5-chloro-1-[2-(cyclopropylmethylamino)ethyl]pyrimidine-2,4-dione
CID 66424593
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477
1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 95386384
3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82465645
4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one
CID 84796016
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 126857626
3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-(cyclopentanecarbonylamino)propanoic acid
CID 162789632
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
5-chloro-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83867973

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione (CID 66423367) is 5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC2CCCN2)cc1Cl.
What is the InChIKey of 5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is XMRRELUKCOUIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c10-7-5-13(9(15)12-8(7)14)4-6-2-1-3-11-6/h5-6,11H,1-4H2,(H,12,14,15).
What are the key properties of 5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione?
5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 229.67 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66423367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).