6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione

C10H14N4O2 — CID 46186631

IUPAC6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C2=NCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N4O2/c1-13-8(11)7(6-4-3-5-12-6)9(15)14(2)10(13)16/h3-5,11H2,1-2H3
InChIKeyTZRVHQDSDRVFGN-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.75
Rot. Bonds1

About 6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 46186631) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID46186631
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C2=NCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N4O2/c1-13-8(11)7(6-4-3-5-12-6)9(15)14(2)10(13)16/h3-5,11H2,1-2H3
InChIKeyTZRVHQDSDRVFGN-UHFFFAOYSA-N
XLogP-0.75
TPSA82.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione (CID 46186631) is 6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C2=NCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is TZRVHQDSDRVFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-8(11)7(6-4-3-5-12-6)9(15)14(2)10(13)16/h3-5,11H2,1-2H3.
What are the key properties of 6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 222.25 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 46186631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).