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

C13H20N4O2 — CID 111453468

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C13H20N4O2/c1-2-10(5-6-18)16-13(19)17-11-7-14-12(15-8-11)9-3-4-9/h7-10,18H,2-6H2,1H3,(H2,16,17,19)
InChIKeyQHKOSKBSDUEZKH-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.64
Rot. Bonds6

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

1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111453468) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea
PubChem CID111453468
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C13H20N4O2/c1-2-10(5-6-18)16-13(19)17-11-7-14-12(15-8-11)9-3-4-9/h7-10,18H,2-6H2,1H3,(H2,16,17,19)
InChIKeyQHKOSKBSDUEZKH-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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Related Compounds

1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474640
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926319
1-(4-ethylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452689
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 71933502
1-but-2-ynyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 99789978
1-[2-(cyclopropylmethoxy)phenyl]-3-(1-hydroxypentan-3-yl)urea
CID 111453706
1-(1-hydroxypentan-3-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111453411
1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111475511
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111506795
1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 86792399
1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea
CID 99833511

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea (CID 111453468) is 1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)Nc1cnc(C2CC2)nc1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is QHKOSKBSDUEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-10(5-6-18)16-13(19)17-11-7-14-12(15-8-11)9-3-4-9/h7-10,18H,2-6H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea?
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)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-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111453468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).