6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione

C14H22N4O3 — CID 729488

IUPAC6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CNC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O3/c1-17-12(15)11(13(20)18(2)14(17)21)10(19)8-16-9-6-4-3-5-7-9/h9,16H,3-8,15H2,1-2H3
InChIKeyXNGNSAOCOXQOCH-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.23
Rot. Bonds4

About 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 729488) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID729488
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CNC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O3/c1-17-12(15)11(13(20)18(2)14(17)21)10(19)8-16-9-6-4-3-5-7-9/h9,16H,3-8,15H2,1-2H3
InChIKeyXNGNSAOCOXQOCH-UHFFFAOYSA-N
XLogP-0.23
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 729488) is 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CNC2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XNGNSAOCOXQOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17-12(15)11(13(20)18(2)14(17)21)10(19)8-16-9-6-4-3-5-7-9/h9,16H,3-8,15H2,1-2H3.
What are the key properties of 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 294.35 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 729488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).