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

C18H30N4O3 — CID 4917767

IUPAC1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)CC/N=C/c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N4O3/c1-3-21(4-2)12-11-19-13-15-16(23)20-18(25)22(17(15)24)14-9-7-5-6-8-10-14/h13-14,24H,3-12H2,1-2H3,(H,20,23,25)/b19-13+
InChIKeyAPZXRCKFRYNSPG-CPNJWEJPSA-N
MW350.46 g/mol
LogP1.90
Rot. Bonds7

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

1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 4917767) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID4917767
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)CC/N=C/c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N4O3/c1-3-21(4-2)12-11-19-13-15-16(23)20-18(25)22(17(15)24)14-9-7-5-6-8-10-14/h13-14,24H,3-12H2,1-2H3,(H,20,23,25)/b19-13+
InChIKeyAPZXRCKFRYNSPG-CPNJWEJPSA-N
XLogP1.90
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.90
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-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione (CID 4917767) is 1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione is CCN(CC)CC/N=C/c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is APZXRCKFRYNSPG-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-3-21(4-2)12-11-19-13-15-16(23)20-18(25)22(17(15)24)14-9-7-5-6-8-10-14/h13-14,24H,3-12H2,1-2H3,(H,20,23,25)/b19-13+.
What are the key properties of 1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione?
1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 350.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-[2-(diethylamino)ethyliminomethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 4917767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).