1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione

C16H26N4O3 — CID 3811429

IUPAC1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCN(C)CC/N=C/c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-19(2)10-9-17-11-13-14(21)18-16(23)20(15(13)22)12-7-5-3-4-6-8-12/h11-12,22H,3-10H2,1-2H3,(H,18,21,23)/b17-11+
InChIKeyQHSCJHLXYGBZDE-GZTJUZNOSA-N
MW322.41 g/mol
LogP1.12
Rot. Bonds5

About 1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione

1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3811429) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3811429
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCN(C)CC/N=C/c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-19(2)10-9-17-11-13-14(21)18-16(23)20(15(13)22)12-7-5-3-4-6-8-12/h11-12,22H,3-10H2,1-2H3,(H,18,21,23)/b17-11+
InChIKeyQHSCJHLXYGBZDE-GZTJUZNOSA-N
XLogP1.12
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 3811429) is 1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione is CN(C)CC/N=C/c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is QHSCJHLXYGBZDE-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-19(2)10-9-17-11-13-14(21)18-16(23)20(15(13)22)12-7-5-3-4-6-8-12/h11-12,22H,3-10H2,1-2H3,(H,18,21,23)/b17-11+.
What are the key properties of 1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3811429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).