2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone

C16H25FN6O — CID 72914240

IUPAC2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCNc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)ncc1F
InChIInChI=1S/C16H25FN6O/c1-18-15-13(17)11-19-16(20-15)23-9-7-21(8-10-23)12-14(24)22-5-3-2-4-6-22/h11H,2-10,12H2,1H3,(H,18,19,20)
InChIKeyBLJHHMITIJKIPV-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.79
Rot. Bonds4

About 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 72914240) has the molecular formula C16H25FN6O and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID72914240
Molecular FormulaC16H25FN6O
Molecular Weight336.42 g/mol
Exact Mass336.21
IUPAC Name2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCNc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)ncc1F
InChIInChI=1S/C16H25FN6O/c1-18-15-13(17)11-19-16(20-15)23-9-7-21(8-10-23)12-14(24)22-5-3-2-4-6-22/h11H,2-10,12H2,1H3,(H,18,19,20)
InChIKeyBLJHHMITIJKIPV-UHFFFAOYSA-N
XLogP0.79
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[4-(Ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide
CID 50963047
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one
CID 67035136
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(tert-butylamino)piperidin-2-one
CID 67972594
1-(1-(2-((1-acetylpiperidin-4-yl)amino)-5-fluoropyrimidin-4-yl)piperidin-3-yl)pyridin-2(1H)-one
CID 172589892
1-(4-((5-Fluoro-4-morpholinopyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172591486
4-(4-Aminopiperidin-1-yl)-9-methyl-6-piperidin-3-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134787231
9-Methyl-4-piperidin-1-yl-6-piperidin-4-yl-5,8-dihydropyrimido[4,5-e][1,4]diazepin-7-one
CID 134790835
4-{3-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl}piperazin-2-one
CID 50963232
N-{2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}acetamide
CID 50976549
1-{2-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)(methyl)amino]ethyl}piperidin-2-one
CID 50982259
N-((4-(piperidin-1-yl)pyrimidin-2-yl)methyl)acetamide
CID 72718045
N-({1-[4-(dimethylamino)-5-fluoro-2-pyrimidinyl]-4-piperidinyl}methyl)acetamide
CID 72926021

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone (CID 72914240) is 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone is CNc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)ncc1F.
What is the InChIKey of 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is BLJHHMITIJKIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN6O/c1-18-15-13(17)11-19-16(20-15)23-9-7-21(8-10-23)12-14(24)22-5-3-2-4-6-22/h11H,2-10,12H2,1H3,(H,18,19,20).
What are the key properties of 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 336.42 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 72914240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).