(4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea

C9H14N4O2 — CID 135435293

IUPAC(4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCC(C)(C)c1cc(=O)[nH]c(NC(N)=O)n1
InChIInChI=1S/C9H14N4O2/c1-9(2,3)5-4-6(14)12-8(11-5)13-7(10)15/h4H,1-3H3,(H4,10,11,12,13,14,15)
InChIKeyAQSGSNSORZAEAC-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.56
Rot. Bonds1

About (4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea

(4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 135435293) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name(4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID135435293
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea
SMILESCC(C)(C)c1cc(=O)[nH]c(NC(N)=O)n1
InChIInChI=1S/C9H14N4O2/c1-9(2,3)5-4-6(14)12-8(11-5)13-7(10)15/h4H,1-3H3,(H4,10,11,12,13,14,15)
InChIKeyAQSGSNSORZAEAC-UHFFFAOYSA-N
XLogP0.56
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of (4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea (CID 135435293) is (4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for (4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for (4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea is CC(C)(C)c1cc(=O)[nH]c(NC(N)=O)n1.
What is the InChIKey of (4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is AQSGSNSORZAEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(2,3)5-4-6(14)12-8(11-5)13-7(10)15/h4H,1-3H3,(H4,10,11,12,13,14,15).
What are the key properties of (4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea?
(4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 210.24 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 135435293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).