1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea

C15H24N4O2 — CID 71795201

IUPAC1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1ncn(CCNC(=O)NC2CCCCC2)c(=O)c1C
InChIInChI=1S/C15H24N4O2/c1-11-12(2)17-10-19(14(11)20)9-8-16-15(21)18-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H2,16,18,21)
InChIKeyVAQYZYIYKKLLAO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.49
Rot. Bonds4

About 1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea

1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 71795201) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID71795201
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1ncn(CCNC(=O)NC2CCCCC2)c(=O)c1C
InChIInChI=1S/C15H24N4O2/c1-11-12(2)17-10-19(14(11)20)9-8-16-15(21)18-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H2,16,18,21)
InChIKeyVAQYZYIYKKLLAO-UHFFFAOYSA-N
XLogP1.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea (CID 71795201) is 1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea is Cc1ncn(CCNC(=O)NC2CCCCC2)c(=O)c1C.
What is the InChIKey of 1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is VAQYZYIYKKLLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-12(2)17-10-19(14(11)20)9-8-16-15(21)18-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 71795201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).