1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea

C13H20N4O3 — CID 47221090

IUPAC1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCC(O)CNC(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C13H20N4O3/c1-10(18)8-15-13(19)16-11-2-3-12(14-9-11)17-4-6-20-7-5-17/h2-3,9-10,18H,4-8H2,1H3,(H2,15,16,19)
InChIKeyJOKGSKZNWJXAEH-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.42
Rot. Bonds4

About 1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 47221090) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID47221090
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCC(O)CNC(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C13H20N4O3/c1-10(18)8-15-13(19)16-11-2-3-12(14-9-11)17-4-6-20-7-5-17/h2-3,9-10,18H,4-8H2,1H3,(H2,15,16,19)
InChIKeyJOKGSKZNWJXAEH-UHFFFAOYSA-N
XLogP0.42
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 94146430
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95156925
1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 51078466
(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 61180630
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
2-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 43044639
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
1-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95772331
2-(carbamoylamino)-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)pentanamide
CID 43044640
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 47221090) is 1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea is CC(O)CNC(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is JOKGSKZNWJXAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10(18)8-15-13(19)16-11-2-3-12(14-9-11)17-4-6-20-7-5-17/h2-3,9-10,18H,4-8H2,1H3,(H2,15,16,19).
What are the key properties of 1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 280.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 47221090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).