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

C17H23FN4O2 — CID 131685948

IUPAC[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone
SMILESO=C(N1CCOCC1c1nccc(NC2CCC2)n1)C1(F)CCC1
InChIInChI=1S/C17H23FN4O2/c18-17(6-2-7-17)16(23)22-9-10-24-11-13(22)15-19-8-5-14(21-15)20-12-3-1-4-12/h5,8,12-13H,1-4,6-7,9-11H2,(H,19,20,21)
InChIKeyUIKMVQGLMQXNEC-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.23
Rot. Bonds4

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

[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone (PubChem CID 131685948) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone.

Molecular Properties

Compound Name[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone
PubChem CID131685948
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone
SMILESO=C(N1CCOCC1c1nccc(NC2CCC2)n1)C1(F)CCC1
InChIInChI=1S/C17H23FN4O2/c18-17(6-2-7-17)16(23)22-9-10-24-11-13(22)15-19-8-5-14(21-15)20-12-3-1-4-12/h5,8,12-13H,1-4,6-7,9-11H2,(H,19,20,21)
InChIKeyUIKMVQGLMQXNEC-UHFFFAOYSA-N
XLogP2.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[rel-(3R,4S)-4-isopropyl-1-(4-morpholinylacetyl)-3-pyrrolidinyl]-2-methyl-4-pyrimidinamine dihydrochloride
CID 72849948
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189307
N-(3-Ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-YL)piperidin-4-YL]acetamide
CID 53189313
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53189314
N-(3-Methoxypropyl)-2-[1-(2-methoxypyrimidin-4-YL)piperidin-4-YL]acetamide
CID 53189317
2-[1-[2-(Methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 53189335
N-(2-methoxyethyl)-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 53189344
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53189382
N~1~-(3-Isopropoxypropyl)-2-{1-[2-(methylamino)-4-pyrimidinyl]-4-piperidyl}acetamide
CID 53189390
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53189403
2-{1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-N-(3-methoxypropyl)acetamide
CID 53189420
N-[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]pyrimidine-2-carboxamide
CID 124862599

Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone?
The IUPAC name of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone (CID 131685948) is [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone.
What is the SMILES notation for [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone?
The canonical SMILES for [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone is O=C(N1CCOCC1c1nccc(NC2CCC2)n1)C1(F)CCC1.
What is the InChIKey of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone?
The InChIKey is UIKMVQGLMQXNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-17(6-2-7-17)16(23)22-9-10-24-11-13(22)15-19-8-5-14(21-15)20-12-3-1-4-12/h5,8,12-13H,1-4,6-7,9-11H2,(H,19,20,21).
What are the key properties of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone?
[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclobutyl)methanone has a molecular weight of 334.40 g/mol, XLogP of 2.23, 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-fluorocyclobutyl)methanone is sourced from PubChem (CID 131685948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).