1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

C18H21FN4O — CID 95827720

IUPAC1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1F
InChIInChI=1S/C18H21FN4O/c1-2-16(24)23-10-6-5-9-15(23)17-13(11-21-18(20)22-17)12-7-3-4-8-14(12)19/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyNTCLSLJMRHLJMJ-OAHLLOKOSA-N
MW328.39 g/mol
LogP3.33
Rot. Bonds3

About 1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 95827720) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID95827720
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1F
InChIInChI=1S/C18H21FN4O/c1-2-16(24)23-10-6-5-9-15(23)17-13(11-21-18(20)22-17)12-7-3-4-8-14(12)19/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyNTCLSLJMRHLJMJ-OAHLLOKOSA-N
XLogP3.33
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110266954
1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95836966
1-[2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 110267007
[(2S)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95837127
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 95836907
1-[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95837037
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110266748
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110266816
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 110253139
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110253101
1-[(2R)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95836984

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 95827720) is 1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1F.
What is the InChIKey of 1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is NTCLSLJMRHLJMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-16(24)23-10-6-5-9-15(23)17-13(11-21-18(20)22-17)12-7-3-4-8-14(12)19/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H2,20,21,22)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 328.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-amino-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95827720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).