6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione

C8H10ClN3O2 — CID 131244209

IUPAC6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)cc(=O)n(C/C=C/Cl)c1=O
InChIInChI=1S/C8H10ClN3O2/c1-11-6(10)5-7(13)12(8(11)14)4-2-3-9/h2-3,5H,4,10H2,1H3/b3-2+
InChIKeySTPVEPFTNRSSFY-NSCUHMNNSA-N
MW215.64 g/mol
LogP-0.12
Rot. Bonds2

About 6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione

6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione (PubChem CID 131244209) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione
PubChem CID131244209
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)cc(=O)n(C/C=C/Cl)c1=O
InChIInChI=1S/C8H10ClN3O2/c1-11-6(10)5-7(13)12(8(11)14)4-2-3-9/h2-3,5H,4,10H2,1H3/b3-2+
InChIKeySTPVEPFTNRSSFY-NSCUHMNNSA-N
XLogP-0.12
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione (CID 131244209) is 6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione is Cn1c(N)cc(=O)n(C/C=C/Cl)c1=O.
What is the InChIKey of 6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is STPVEPFTNRSSFY-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-11-6(10)5-7(13)12(8(11)14)4-2-3-9/h2-3,5H,4,10H2,1H3/b3-2+.
What are the key properties of 6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione?
6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 215.64 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(E)-3-chloroprop-2-enyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 131244209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).