1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea

C15H26N4O2 — CID 111926186

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

About 1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea

1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea (PubChem CID 111926186) 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-[3-(hydroxymethyl)pentan-3-yl]urea.

Molecular Properties

Compound Name1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
PubChem CID111926186
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
SMILESCCC(CC)(CO)NC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C15H26N4O2/c1-6-15(7-2,10-20)19-13(21)18-11-8-16-12(17-9-11)14(3,4)5/h8-9,20H,6-7,10H2,1-5H3,(H2,18,19,21)
InChIKeyMHUFMJKBPHFSJI-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea (CID 111926186) is 1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea.
What is the SMILES notation for 1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The canonical SMILES for 1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea is CCC(CC)(CO)NC(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of 1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The InChIKey is MHUFMJKBPHFSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-15(7-2,10-20)19-13(21)18-11-8-16-12(17-9-11)14(3,4)5/h8-9,20H,6-7,10H2,1-5H3,(H2,18,19,21).
What are the key properties of 1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea?
1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]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-[3-(hydroxymethyl)pentan-3-yl]urea is sourced from PubChem (CID 111926186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).