1-cyclohexyl-3-pyrimidin-2-ylurea

C11H16N4O — CID 3526095

IUPAC1-cyclohexyl-3-pyrimidin-2-ylurea
SMILESO=C(Nc1ncccn1)NC1CCCCC1
InChIInChI=1S/C11H16N4O/c16-11(14-9-5-2-1-3-6-9)15-10-12-7-4-8-13-10/h4,7-9H,1-3,5-6H2,(H2,12,13,14,15,16)
InChIKeyCCUZUTVWLHWHDW-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.93
Rot. Bonds2

About 1-cyclohexyl-3-pyrimidin-2-ylurea

1-cyclohexyl-3-pyrimidin-2-ylurea (PubChem CID 3526095) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-pyrimidin-2-ylurea
PubChem CID3526095
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-cyclohexyl-3-pyrimidin-2-ylurea
SMILESO=C(Nc1ncccn1)NC1CCCCC1
InChIInChI=1S/C11H16N4O/c16-11(14-9-5-2-1-3-6-9)15-10-12-7-4-8-13-10/h4,7-9H,1-3,5-6H2,(H2,12,13,14,15,16)
InChIKeyCCUZUTVWLHWHDW-UHFFFAOYSA-N
XLogP1.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-pyrimidin-2-ylurea?
The IUPAC name of 1-cyclohexyl-3-pyrimidin-2-ylurea (CID 3526095) is 1-cyclohexyl-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-cyclohexyl-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-cyclohexyl-3-pyrimidin-2-ylurea is O=C(Nc1ncccn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-pyrimidin-2-ylurea?
The InChIKey is CCUZUTVWLHWHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(14-9-5-2-1-3-6-9)15-10-12-7-4-8-13-10/h4,7-9H,1-3,5-6H2,(H2,12,13,14,15,16).
What are the key properties of 1-cyclohexyl-3-pyrimidin-2-ylurea?
1-cyclohexyl-3-pyrimidin-2-ylurea has a molecular weight of 220.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-pyrimidin-2-ylurea is sourced from PubChem (CID 3526095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).