6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione

C12H18N4O3 — CID 3118970

IUPAC6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione
SMILESCn1c(NC2CCCCC2)c(N=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O3/c1-15-10(13-8-6-4-3-5-7-8)9(14-19)11(17)16(2)12(15)18/h8,13H,3-7H2,1-2H3
InChIKeyILAGKVGQGMHJTD-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.23
Rot. Bonds3

About 6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione

6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione (PubChem CID 3118970) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione
PubChem CID3118970
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione
SMILESCn1c(NC2CCCCC2)c(N=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O3/c1-15-10(13-8-6-4-3-5-7-8)9(14-19)11(17)16(2)12(15)18/h8,13H,3-7H2,1-2H3
InChIKeyILAGKVGQGMHJTD-UHFFFAOYSA-N
XLogP1.23
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione?
The IUPAC name of 6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione (CID 3118970) is 6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione.
What is the SMILES notation for 6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione?
The canonical SMILES for 6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione is Cn1c(NC2CCCCC2)c(N=O)c(=O)n(C)c1=O.
What is the InChIKey of 6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione?
The InChIKey is ILAGKVGQGMHJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-10(13-8-6-4-3-5-7-8)9(14-19)11(17)16(2)12(15)18/h8,13H,3-7H2,1-2H3.
What are the key properties of 6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione?
6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione is sourced from PubChem (CID 3118970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).