1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea

C14H17N5O2 — CID 86792399

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
SMILESCCc1noc(C)c1NC(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C14H17N5O2/c1-3-11-12(8(2)21-19-11)18-14(20)17-10-6-15-13(16-7-10)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H2,17,18,20)
InChIKeyUPIODVNPTLNLNT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea

1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea (PubChem CID 86792399) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
PubChem CID86792399
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
SMILESCCc1noc(C)c1NC(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C14H17N5O2/c1-3-11-12(8(2)21-19-11)18-14(20)17-10-6-15-13(16-7-10)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H2,17,18,20)
InChIKeyUPIODVNPTLNLNT-UHFFFAOYSA-N
XLogP2.86
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
CID 126776918
1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 71933502
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926319
1-but-2-ynyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 99789978
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 75457913
1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea
CID 99833511
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111453468
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea
CID 111474647
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 109397206
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 111474644
1-[(1-tert-butylpyrrolidin-3-yl)methyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 126821088
(2S)-2-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide
CID 99836115

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea (CID 86792399) is 1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea is CCc1noc(C)c1NC(=O)Nc1cnc(C2CC2)nc1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea?
The InChIKey is UPIODVNPTLNLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-11-12(8(2)21-19-11)18-14(20)17-10-6-15-13(16-7-10)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea?
1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea has a molecular weight of 287.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 86792399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).