6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione

C9H14N4O2 — CID 91570323

IUPAC6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CNC2CCNC2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c14-8-3-7(12-9(15)13-8)5-11-6-1-2-10-4-6/h3,6,10-11H,1-2,4-5H2,(H2,12,13,14,15)
InChIKeyDVMYHFPRJIJETH-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.49
Rot. Bonds3

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

6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 91570323) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione
PubChem CID91570323
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CNC2CCNC2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c14-8-3-7(12-9(15)13-8)5-11-6-1-2-10-4-6/h3,6,10-11H,1-2,4-5H2,(H2,12,13,14,15)
InChIKeyDVMYHFPRJIJETH-UHFFFAOYSA-N
XLogP-1.49
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione (CID 91570323) is 6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione is O=c1cc(CNC2CCNC2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DVMYHFPRJIJETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-8-3-7(12-9(15)13-8)5-11-6-1-2-10-4-6/h3,6,10-11H,1-2,4-5H2,(H2,12,13,14,15).
What are the key properties of 6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione?
6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 210.24 g/mol, XLogP of -1.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(pyrrolidin-3-ylamino)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91570323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).