2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide

C17H20FN5O — CID 118740239

IUPAC2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCCC1c1nc(N)ncc1-c1cccc(F)c1
InChIInChI=1S/C17H20FN5O/c18-12-5-3-4-11(8-12)13-9-21-17(20)22-16(13)14-6-1-2-7-23(14)10-15(19)24/h3-5,8-9,14H,1-2,6-7,10H2,(H2,19,24)(H2,20,21,22)
InChIKeyMKHLTWRVUVRZGF-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.88
Rot. Bonds4

About 2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide

2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide (PubChem CID 118740239) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
PubChem CID118740239
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCCC1c1nc(N)ncc1-c1cccc(F)c1
InChIInChI=1S/C17H20FN5O/c18-12-5-3-4-11(8-12)13-9-21-17(20)22-16(13)14-6-1-2-7-23(14)10-15(19)24/h3-5,8-9,14H,1-2,6-7,10H2,(H2,19,24)(H2,20,21,22)
InChIKeyMKHLTWRVUVRZGF-UHFFFAOYSA-N
XLogP1.88
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95836792
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110253101
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95836884
5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95837178
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110253068
1-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95815204
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110253122
1-[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95815187
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110266907

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide (CID 118740239) is 2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCCCC1c1nc(N)ncc1-c1cccc(F)c1.
What is the InChIKey of 2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide?
The InChIKey is MKHLTWRVUVRZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-12-5-3-4-11(8-12)13-9-21-17(20)22-16(13)14-6-1-2-7-23(14)10-15(19)24/h3-5,8-9,14H,1-2,6-7,10H2,(H2,19,24)(H2,20,21,22).
What are the key properties of 2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide?
2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 118740239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).