1-ethyl-3-pyrimidin-2-ylurea

C7H10N4O — CID 90654975

IUPAC1-ethyl-3-pyrimidin-2-ylurea
SMILESCCNC(=O)Nc1ncccn1
InChIInChI=1S/C7H10N4O/c1-2-8-7(12)11-6-9-4-3-5-10-6/h3-5H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyNVVPLFQMHAHMOK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.62
Rot. Bonds2

About 1-ethyl-3-pyrimidin-2-ylurea

1-ethyl-3-pyrimidin-2-ylurea (PubChem CID 90654975) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-ethyl-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-ethyl-3-pyrimidin-2-ylurea
PubChem CID90654975
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-ethyl-3-pyrimidin-2-ylurea
SMILESCCNC(=O)Nc1ncccn1
InChIInChI=1S/C7H10N4O/c1-2-8-7(12)11-6-9-4-3-5-10-6/h3-5H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyNVVPLFQMHAHMOK-UHFFFAOYSA-N
XLogP0.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pyrimidin-2-ylurea?
The IUPAC name of 1-ethyl-3-pyrimidin-2-ylurea (CID 90654975) is 1-ethyl-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-ethyl-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-ethyl-3-pyrimidin-2-ylurea is CCNC(=O)Nc1ncccn1.
What is the InChIKey of 1-ethyl-3-pyrimidin-2-ylurea?
The InChIKey is NVVPLFQMHAHMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-2-8-7(12)11-6-9-4-3-5-10-6/h3-5H,2H2,1H3,(H2,8,9,10,11,12).
What are the key properties of 1-ethyl-3-pyrimidin-2-ylurea?
1-ethyl-3-pyrimidin-2-ylurea has a molecular weight of 166.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pyrimidin-2-ylurea is sourced from PubChem (CID 90654975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).