1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea

C13H20N4O2 — CID 111474647

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C13H20N4O2/c1-2-3-11(18)8-16-13(19)17-10-6-14-12(15-7-10)9-4-5-9/h6-7,9,11,18H,2-5,8H2,1H3,(H2,16,17,19)
InChIKeyWHPJCBKIMLKZBH-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.64
Rot. Bonds6

About 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea

1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea (PubChem CID 111474647) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea
PubChem CID111474647
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C13H20N4O2/c1-2-3-11(18)8-16-13(19)17-10-6-14-12(15-7-10)9-4-5-9/h6-7,9,11,18H,2-5,8H2,1H3,(H2,16,17,19)
InChIKeyWHPJCBKIMLKZBH-UHFFFAOYSA-N
XLogP1.64
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea (CID 111474647) is 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea is CCCC(O)CNC(=O)Nc1cnc(C2CC2)nc1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea?
The InChIKey is WHPJCBKIMLKZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-3-11(18)8-16-13(19)17-10-6-14-12(15-7-10)9-4-5-9/h6-7,9,11,18H,2-5,8H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea?
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea has a molecular weight of 264.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea is sourced from PubChem (CID 111474647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).