N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine

C17H28FN5 — CID 72922512

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cncnc1N1CCC(NC[C@@H]2C[C@H](F)CN2)CC1
InChIInChI=1S/C17H28FN5/c1-2-3-13-9-19-12-22-17(13)23-6-4-15(5-7-23)21-11-16-8-14(18)10-20-16/h9,12,14-16,20-21H,2-8,10-11H2,1H3/t14-,16-/m0/s1
InChIKeyLAZRDLXIFGNRAW-HOCLYGCPSA-N
MW321.44 g/mol
LogP1.69
Rot. Bonds6

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 72922512) has the molecular formula C17H28FN5 and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine
PubChem CID72922512
Molecular FormulaC17H28FN5
Molecular Weight321.44 g/mol
Exact Mass321.23
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cncnc1N1CCC(NC[C@@H]2C[C@H](F)CN2)CC1
InChIInChI=1S/C17H28FN5/c1-2-3-13-9-19-12-22-17(13)23-6-4-15(5-7-23)21-11-16-8-14(18)10-20-16/h9,12,14-16,20-21H,2-8,10-11H2,1H3/t14-,16-/m0/s1
InChIKeyLAZRDLXIFGNRAW-HOCLYGCPSA-N
XLogP1.69
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine with MolForge

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Related Compounds

N-methyl-4-(5-propyl-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarbothioamide
CID 2811495
4-(4,4-Difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine
CID 50982072
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
5-(4-Fluoropiperidin-4-yl)pyrimidine dihydrochloride
CID 102551689
1-(5-Propylpyrimidin-2-yl)-1,4-diazepane
CID 2796028
5,6,7,8-Tetrahydropyrido[2,3-d]pyrimidin-2-amine
CID 13404586
5,6,7,8-Tetrahydropyrido[2,3-d]pyrimidine
CID 19828393
2-Methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 50975563
N,N-dimethyl-1-[2-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-2-yl]piperidin-4-amine
CID 72138323
5-ethyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72902480
5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72920787
5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine
CID 95147589

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine (CID 72922512) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine is CCCc1cncnc1N1CCC(NC[C@@H]2C[C@H](F)CN2)CC1.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is LAZRDLXIFGNRAW-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H28FN5/c1-2-3-13-9-19-12-22-17(13)23-6-4-15(5-7-23)21-11-16-8-14(18)10-20-16/h9,12,14-16,20-21H,2-8,10-11H2,1H3/t14-,16-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 321.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72922512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).