3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea

C15H26N4O2 — CID 111969725

IUPAC3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1cnc(C(C)(C)C)nc1)C(C)C
InChIInChI=1S/C15H26N4O2/c1-10(2)19(9-11(3)20)14(21)18-12-7-16-13(17-8-12)15(4,5)6/h7-8,10-11,20H,9H2,1-6H3,(H,18,21)
InChIKeyQGONJFWSTDTYOH-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.40
Rot. Bonds4

About 3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea

3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea (PubChem CID 111969725) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
PubChem CID111969725
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1cnc(C(C)(C)C)nc1)C(C)C
InChIInChI=1S/C15H26N4O2/c1-10(2)19(9-11(3)20)14(21)18-12-7-16-13(17-8-12)15(4,5)6/h7-8,10-11,20H,9H2,1-6H3,(H,18,21)
InChIKeyQGONJFWSTDTYOH-UHFFFAOYSA-N
XLogP2.40
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111112642
1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea
CID 111969776
3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea
CID 97218500
1-(2-hydroxypropyl)-3-(4-methylsulfinylphenyl)-1-propan-2-ylurea
CID 111969781
1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
CID 111754632
1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 97215845
4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide
CID 120561407
1-(2-hydroxypropyl)-3-[4-(methylsulfanylmethyl)phenyl]-1-propan-2-ylurea
CID 111969735
1-(2-tert-butylpyrimidin-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431544
1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea
CID 111969731
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The IUPAC name of 3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea (CID 111969725) is 3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea is CC(O)CN(C(=O)Nc1cnc(C(C)(C)C)nc1)C(C)C.
What is the InChIKey of 3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The InChIKey is QGONJFWSTDTYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)19(9-11(3)20)14(21)18-12-7-16-13(17-8-12)15(4,5)6/h7-8,10-11,20H,9H2,1-6H3,(H,18,21).
What are the key properties of 3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea has a molecular weight of 294.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea is sourced from PubChem (CID 111969725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).