[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone

C16H21FN4O2 — CID 131687222

IUPAC[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone
SMILESO=C(N1CCOCC1c1nccc(NC2CCC2)n1)C1(F)CC1
InChIInChI=1S/C16H21FN4O2/c17-16(5-6-16)15(22)21-8-9-23-10-12(21)14-18-7-4-13(20-14)19-11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,18,19,20)
InChIKeyGLWCGFSLSBBJSP-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.84
Rot. Bonds4

About [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone

[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 131687222) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone
PubChem CID131687222
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone
SMILESO=C(N1CCOCC1c1nccc(NC2CCC2)n1)C1(F)CC1
InChIInChI=1S/C16H21FN4O2/c17-16(5-6-16)15(22)21-8-9-23-10-12(21)14-18-7-4-13(20-14)19-11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,18,19,20)
InChIKeyGLWCGFSLSBBJSP-UHFFFAOYSA-N
XLogP1.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Tert-butylpyrimidin-4-yl)-3-ethylpiperazin-2-one
CID 75379311
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53189403
N-[[(2S)-4-(2-tert-butylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide
CID 97787169
N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide
CID 124862599
1-ethyl-3-[(3R,4R)-3-(pyrimidin-4-ylamino)oxan-4-yl]urea
CID 138013425
1-(2,2-dimethylmorpholin-4-yl)-2-[(3S)-3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]ethanone
CID 164642163
N-[(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butyl]-2,2,2-trifluoro-N-(1-pyrimidin-2-ylcyclopropyl)acetamide
CID 87382114
[(2R,3S)-3-amino-2-[(3,3-difluoro-1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854186
(3,3-Difluorocyclobutyl)-[4-[(2-pentan-3-yloxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 175413558
4-[3-(Fluoromethyl)-5-(methoxymethyl)piperazin-1-yl]pyrimidine
CID 176087080
4-[3-[[2-[[3-(4-Methylpiperazin-1-yl)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one
CID 177204421
N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45831619

Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone?
The IUPAC name of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone (CID 131687222) is [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone is O=C(N1CCOCC1c1nccc(NC2CCC2)n1)C1(F)CC1.
What is the InChIKey of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is GLWCGFSLSBBJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c17-16(5-6-16)15(22)21-8-9-23-10-12(21)14-18-7-4-13(20-14)19-11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,18,19,20).
What are the key properties of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone?
[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 320.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone is sourced from PubChem (CID 131687222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).