[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone

C17H22F2N4O2 — CID 131687075

IUPAC[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CCOCC1c1nccc(NC2CCC2)n1
InChIInChI=1S/C17H22F2N4O2/c18-17(19)8-11(9-17)16(24)23-6-7-25-10-13(23)15-20-5-4-14(22-15)21-12-2-1-3-12/h4-5,11-13H,1-3,6-10H2,(H,20,21,22)
InChIKeyBISRZUOBSPZJPJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.39
Rot. Bonds4

About [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone

[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone (PubChem CID 131687075) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone
PubChem CID131687075
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CCOCC1c1nccc(NC2CCC2)n1
InChIInChI=1S/C17H22F2N4O2/c18-17(19)8-11(9-17)16(24)23-6-7-25-10-13(23)15-20-5-4-14(22-15)21-12-2-1-3-12/h4-5,11-13H,1-3,6-10H2,(H,20,21,22)
InChIKeyBISRZUOBSPZJPJ-UHFFFAOYSA-N
XLogP2.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.39
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-(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
N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethyl]propanamide
CID 57068587

Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone (CID 131687075) is [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone is O=C(C1CC(F)(F)C1)N1CCOCC1c1nccc(NC2CCC2)n1.
What is the InChIKey of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone?
The InChIKey is BISRZUOBSPZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O2/c18-17(19)8-11(9-17)16(24)23-6-7-25-10-13(23)15-20-5-4-14(22-15)21-12-2-1-3-12/h4-5,11-13H,1-3,6-10H2,(H,20,21,22).
What are the key properties of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone?
[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(3,3-difluorocyclobutyl)methanone has a molecular weight of 352.39 g/mol, XLogP of 2.39, 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]-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 131687075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).