1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea

C14H24N4O2 — CID 75373143

IUPAC1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C14H24N4O2/c1-9(8-19)10(2)17-13(20)18-11-6-15-12(16-7-11)14(3,4)5/h6-7,9-10,19H,8H2,1-5H3,(H2,17,18,20)
InChIKeyCRKQGDACBSBLMF-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea

1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 75373143) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
PubChem CID75373143
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C14H24N4O2/c1-9(8-19)10(2)17-13(20)18-11-6-15-12(16-7-11)14(3,4)5/h6-7,9-10,19H,8H2,1-5H3,(H2,17,18,20)
InChIKeyCRKQGDACBSBLMF-UHFFFAOYSA-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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Related Compounds

1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424877
1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 97215845
1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926186
1-(2-tert-butylpyrimidin-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431544
N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide
CID 95300949
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485
4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide
CID 120561407
1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103718
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methylsulfinylphenyl)urea
CID 111578684
1-[(2R,3S)-4-hydroxy-3-methylbutan-2-yl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
CID 97226993
2-amino-N-(2-tert-butylpyrimidin-5-yl)-2-methylpropanamide
CID 119305616
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-prop-2-ynoxyphenyl)urea
CID 111453545

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea (CID 75373143) is 1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea is CC(CO)C(C)NC(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of 1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is CRKQGDACBSBLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(8-19)10(2)17-13(20)18-11-6-15-12(16-7-11)14(3,4)5/h6-7,9-10,19H,8H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
1-(2-tert-butylpyrimidin-5-yl)-3-(4-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-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 75373143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).