N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide

C18H26FN5O — CID 128990952

IUPACN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)C1=CCCC1
InChIInChI=1S/C18H26FN5O/c1-22(2)18-20-9-8-16(21-18)24-11-14(19)10-15(24)12-23(3)17(25)13-6-4-5-7-13/h6,8-9,14-15H,4-5,7,10-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyWXVHHMZAYOOZJQ-GJZGRUSLSA-N
MW347.44 g/mol
LogP2.03
Rot. Bonds5

About N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide

N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide (PubChem CID 128990952) has the molecular formula C18H26FN5O and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide
PubChem CID128990952
Molecular FormulaC18H26FN5O
Molecular Weight347.44 g/mol
Exact Mass347.21
IUPAC NameN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)C1=CCCC1
InChIInChI=1S/C18H26FN5O/c1-22(2)18-20-9-8-16(21-18)24-11-14(19)10-15(24)12-23(3)17(25)13-6-4-5-7-13/h6,8-9,14-15H,4-5,7,10-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyWXVHHMZAYOOZJQ-GJZGRUSLSA-N
XLogP2.03
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide (CID 128990952) is N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide is CN(C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1)C(=O)C1=CCCC1.
What is the InChIKey of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide?
The InChIKey is WXVHHMZAYOOZJQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H26FN5O/c1-22(2)18-20-9-8-16(21-18)24-11-14(19)10-15(24)12-23(3)17(25)13-6-4-5-7-13/h6,8-9,14-15H,4-5,7,10-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide?
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methylcyclopentene-1-carboxamide is sourced from PubChem (CID 128990952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).