(2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C21H22FN5O2 — CID 125004181

IUPAC(2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)nc(N)n1
InChIInChI=1S/C21H22FN5O2/c1-13-9-17(26-21(23)25-13)20(28)27-8-3-2-7-18(27)19-24-12-16(29-19)11-14-5-4-6-15(22)10-14/h4-6,9-10,12,18H,2-3,7-8,11H2,1H3,(H2,23,25,26)/t18-/m0/s1
InChIKeySWVQHMBICFSTBT-SFHVURJKSA-N
MW395.44 g/mol
LogP3.45
Rot. Bonds4

About (2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 125004181) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is (2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID125004181
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name(2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)nc(N)n1
InChIInChI=1S/C21H22FN5O2/c1-13-9-17(26-21(23)25-13)20(28)27-8-3-2-7-18(27)19-24-12-16(29-19)11-14-5-4-6-15(22)10-14/h4-6,9-10,12,18H,2-3,7-8,11H2,1H3,(H2,23,25,26)/t18-/m0/s1
InChIKeySWVQHMBICFSTBT-SFHVURJKSA-N
XLogP3.45
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-6-methylpyrimidin-4-yl)-[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110121018
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124987507
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 124982795
(2-amino-6-methylpyrimidin-4-yl)-[(2R)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 124942925
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 110119921
[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 125002225
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
CID 124963206
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 125007448
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110121347
[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 125013156
[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-[(3-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 129455330
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 110120909

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 125004181) is (2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)nc(N)n1.
What is the InChIKey of (2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is SWVQHMBICFSTBT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-13-9-17(26-21(23)25-13)20(28)27-8-3-2-7-18(27)19-24-12-16(29-19)11-14-5-4-6-15(22)10-14/h4-6,9-10,12,18H,2-3,7-8,11H2,1H3,(H2,23,25,26)/t18-/m0/s1.
What are the key properties of (2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylpyrimidin-4-yl)-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 125004181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).