1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea

C14H22N4O2 — CID 121119447

IUPAC1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1cc(=O)n(CCNC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C14H22N4O2/c1-11-9-13(19)18(10-16-11)8-7-15-14(20)17-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H2,15,17,20)
InChIKeyKYODLMMYPVLQBO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.18
Rot. Bonds4

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

1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 121119447) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID121119447
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1cc(=O)n(CCNC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C14H22N4O2/c1-11-9-13(19)18(10-16-11)8-7-15-14(20)17-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H2,15,17,20)
InChIKeyKYODLMMYPVLQBO-UHFFFAOYSA-N
XLogP1.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.18
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-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea (CID 121119447) is 1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea is Cc1cc(=O)n(CCNC(=O)NC2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is KYODLMMYPVLQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-9-13(19)18(10-16-11)8-7-15-14(20)17-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H2,15,17,20).
What are the key properties of 1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea?
1-cyclohexyl-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 278.36 g/mol, XLogP of 1.18, 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-methyl-6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 121119447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).