1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea

C14H24N4O2 — CID 136588992

IUPAC1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
SMILESCC(C)[C@@H](CO)NC(=O)Nc1nccc(C(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)10(8-19)16-13(20)18-12-15-7-6-11(17-12)14(3,4)5/h6-7,9-10,19H,8H2,1-5H3,(H2,15,16,17,18,20)/t10-/m1/s1
InChIKeyRLDXUBKQTJWTGY-SNVBAGLBSA-N
MW280.37 g/mol
LogP1.91
Rot. Bonds4

About 1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea

1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea (PubChem CID 136588992) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
PubChem CID136588992
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
SMILESCC(C)[C@@H](CO)NC(=O)Nc1nccc(C(C)(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)10(8-19)16-13(20)18-12-15-7-6-11(17-12)14(3,4)5/h6-7,9-10,19H,8H2,1-5H3,(H2,15,16,17,18,20)/t10-/m1/s1
InChIKeyRLDXUBKQTJWTGY-SNVBAGLBSA-N
XLogP1.91
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The IUPAC name of 1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea (CID 136588992) is 1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea is CC(C)[C@@H](CO)NC(=O)Nc1nccc(C(C)(C)C)n1.
What is the InChIKey of 1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The InChIKey is RLDXUBKQTJWTGY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)10(8-19)16-13(20)18-12-15-7-6-11(17-12)14(3,4)5/h6-7,9-10,19H,8H2,1-5H3,(H2,15,16,17,18,20)/t10-/m1/s1.
What are the key properties of 1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea is sourced from PubChem (CID 136588992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).