6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione

C13H19N3O3 — CID 18704853

IUPAC6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c1-16-11(14)10(12(18)15-13(16)19)9(17)7-8-5-3-2-4-6-8/h8H,2-7,14H2,1H3,(H,15,18,19)
InChIKeyVPPVSCAPBPYAMX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.81
Rot. Bonds3

About 6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione

6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione (PubChem CID 18704853) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione
PubChem CID18704853
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O3/c1-16-11(14)10(12(18)15-13(16)19)9(17)7-8-5-3-2-4-6-8/h8H,2-7,14H2,1H3,(H,15,18,19)
InChIKeyVPPVSCAPBPYAMX-UHFFFAOYSA-N
XLogP0.81
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione (CID 18704853) is 6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is VPPVSCAPBPYAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16-11(14)10(12(18)15-13(16)19)9(17)7-8-5-3-2-4-6-8/h8H,2-7,14H2,1H3,(H,15,18,19).
What are the key properties of 6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione?
6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 265.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-cyclohexylacetyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 18704853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).