1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea

C15H23N5O3 — CID 127751996

IUPAC1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea
SMILESCC(C)(C)c1ncc(NC(=O)NCC(=O)N2CCOCC2)cn1
InChIInChI=1S/C15H23N5O3/c1-15(2,3)13-16-8-11(9-17-13)19-14(22)18-10-12(21)20-4-6-23-7-5-20/h8-9H,4-7,10H2,1-3H3,(H2,18,19,22)
InChIKeyANHUOAOAJQWPBD-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.75
Rot. Bonds3

About 1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea

1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea (PubChem CID 127751996) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea.

Molecular Properties

Compound Name1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea
PubChem CID127751996
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea
SMILESCC(C)(C)c1ncc(NC(=O)NCC(=O)N2CCOCC2)cn1
InChIInChI=1S/C15H23N5O3/c1-15(2,3)13-16-8-11(9-17-13)19-14(22)18-10-12(21)20-4-6-23-7-5-20/h8-9H,4-7,10H2,1-3H3,(H2,18,19,22)
InChIKeyANHUOAOAJQWPBD-UHFFFAOYSA-N
XLogP0.75
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103718
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 47009992
1-(2-tert-butylpyrimidin-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431544
1-(2-tert-butylpyrimidin-5-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71926143
2-[(1-methylpyrazol-4-yl)amino]-1-morpholin-4-ylethanone
CID 79778249
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95156925
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
N-(2-morpholin-4-yl-2-oxoethyl)pyrazine-2-carboxamide
CID 110741937
1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 124616800
1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 75373143
2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712382

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea?
The IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea (CID 127751996) is 1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea.
What is the SMILES notation for 1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea?
The canonical SMILES for 1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea is CC(C)(C)c1ncc(NC(=O)NCC(=O)N2CCOCC2)cn1.
What is the InChIKey of 1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea?
The InChIKey is ANHUOAOAJQWPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-15(2,3)13-16-8-11(9-17-13)19-14(22)18-10-12(21)20-4-6-23-7-5-20/h8-9H,4-7,10H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea?
1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea has a molecular weight of 321.38 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea is sourced from PubChem (CID 127751996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).