1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea

C15H26N4O2 — CID 111103718

IUPAC1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H26N4O2/c1-6-15(21,7-2)10-18-13(20)19-11-8-16-12(17-9-11)14(3,4)5/h8-9,21H,6-7,10H2,1-5H3,(H2,18,19,20)
InChIKeyCBTJZKXIHUHFMT-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea

1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 111103718) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID111103718
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H26N4O2/c1-6-15(21,7-2)10-18-13(20)19-11-8-16-12(17-9-11)14(3,4)5/h8-9,21H,6-7,10H2,1-5H3,(H2,18,19,20)
InChIKeyCBTJZKXIHUHFMT-UHFFFAOYSA-N
XLogP2.45
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926186
1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 97215845
1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea
CID 119050388
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-(2-morpholin-4-yl-2-oxoethyl)urea
CID 127751996
1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 75373143
2-amino-N-(2-tert-butylpyrimidin-5-yl)-2-methylpropanamide
CID 119305616
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-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111104399
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea (CID 111103718) is 1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea is CCC(O)(CC)CNC(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of 1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is CBTJZKXIHUHFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-15(21,7-2)10-18-13(20)19-11-8-16-12(17-9-11)14(3,4)5/h8-9,21H,6-7,10H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea?
1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 294.40 g/mol, XLogP of 2.45, 5 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-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 111103718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).