1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea

C11H18N4O2 — CID 137095044

IUPAC1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea
SMILESCCCNC(=O)Nc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2/c1-4-5-12-11(17)15-10-13-8(7(2)3)6-9(16)14-10/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15,16,17)
InChIKeyVUTRWRQVSMXWSV-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.42
Rot. Bonds4

About 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea

1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea (PubChem CID 137095044) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea.

Molecular Properties

Compound Name1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea
PubChem CID137095044
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea
SMILESCCCNC(=O)Nc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2/c1-4-5-12-11(17)15-10-13-8(7(2)3)6-9(16)14-10/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15,16,17)
InChIKeyVUTRWRQVSMXWSV-UHFFFAOYSA-N
XLogP1.42
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea?
The IUPAC name of 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea (CID 137095044) is 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea.
What is the SMILES notation for 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea?
The canonical SMILES for 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea is CCCNC(=O)Nc1nc(C(C)C)cc(=O)[nH]1.
What is the InChIKey of 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea?
The InChIKey is VUTRWRQVSMXWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-5-12-11(17)15-10-13-8(7(2)3)6-9(16)14-10/h6-7H,4-5H2,1-3H3,(H3,12,13,14,15,16,17).
What are the key properties of 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea?
1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea has a molecular weight of 238.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-propylurea is sourced from PubChem (CID 137095044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).