1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea

C14H24N4O2 — CID 97215845

IUPAC1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
SMILESCC(C)[C@@H](O)CNC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C14H24N4O2/c1-9(2)11(19)8-17-13(20)18-10-6-15-12(16-7-10)14(3,4)5/h6-7,9,11,19H,8H2,1-5H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyYLJRPYJNRYHFFP-NSHDSACASA-N
MW280.37 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea

1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea (PubChem CID 97215845) 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-[(2R)-2-hydroxy-3-methylbutyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
PubChem CID97215845
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
SMILESCC(C)[C@@H](O)CNC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C14H24N4O2/c1-9(2)11(19)8-17-13(20)18-10-6-15-12(16-7-10)14(3,4)5/h6-7,9,11,19H,8H2,1-5H3,(H2,17,18,20)/t11-/m0/s1
InChIKeyYLJRPYJNRYHFFP-NSHDSACASA-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-(2-hydroxy-4-methylpentyl)urea
CID 111431544
1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103718
N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide
CID 95300949
1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 75373143
1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea
CID 119050388
1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424877
1-(2-tert-butylpyrimidin-5-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71926143
1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 127751996
4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide
CID 120561407
3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969725
1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926186
N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide
CID 47416539

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea?
The IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea (CID 97215845) is 1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea.
What is the SMILES notation for 1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea?
The canonical SMILES for 1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea is CC(C)[C@@H](O)CNC(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of 1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea?
The InChIKey is YLJRPYJNRYHFFP-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)11(19)8-17-13(20)18-10-6-15-12(16-7-10)14(3,4)5/h6-7,9,11,19H,8H2,1-5H3,(H2,17,18,20)/t11-/m0/s1.
What are the key properties of 1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea?
1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]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-[(2R)-2-hydroxy-3-methylbutyl]urea is sourced from PubChem (CID 97215845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).