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

C14H23ClN4O3 — CID 90485306

IUPAC6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(N)c(C(=O)CNC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O3.ClH/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;1H
InChIKeyGEWSWQAMWQZIGW-UHFFFAOYSA-N
MW330.82 g/mol
LogP0.19
Rot. Bonds4

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

6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (PubChem CID 90485306) has the molecular formula C14H23ClN4O3 and a molecular weight of 330.82 g/mol. Its IUPAC name is 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
PubChem CID90485306
Molecular FormulaC14H23ClN4O3
Molecular Weight330.82 g/mol
Exact Mass330.15
IUPAC Name6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(N)c(C(=O)CNC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O3.ClH/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;1H
InChIKeyGEWSWQAMWQZIGW-UHFFFAOYSA-N
XLogP0.19
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 50.19
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;hydrochloride?
The IUPAC name of 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (CID 90485306) is 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride is Cl.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;hydrochloride?
The InChIKey is GEWSWQAMWQZIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3.ClH/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;1H.
What are the key properties of 6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
6-amino-5-[2-(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 0.19, 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;hydrochloride is sourced from PubChem (CID 90485306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).