1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine

C17H26FN5O — CID 154768232

IUPAC1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3CCC=C(F)C3)ncn2)C1
InChIInChI=1S/C17H26FN5O/c1-21(2)10-14-7-15(24-3)11-23(14)17-8-16(19-12-20-17)22-6-4-5-13(18)9-22/h5,8,12,14-15H,4,6-7,9-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyVSQDGIINHNTBRL-GJZGRUSLSA-N
MW335.43 g/mol
LogP1.70
Rot. Bonds5

About 1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 154768232) has the molecular formula C17H26FN5O and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID154768232
Molecular FormulaC17H26FN5O
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC Name1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3CCC=C(F)C3)ncn2)C1
InChIInChI=1S/C17H26FN5O/c1-21(2)10-14-7-15(24-3)11-23(14)17-8-16(19-12-20-17)22-6-4-5-13(18)9-22/h5,8,12,14-15H,4,6-7,9-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyVSQDGIINHNTBRL-GJZGRUSLSA-N
XLogP1.70
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-[(2S,4S)-2-[(dimethylamino)methyl]-4-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-(2-phenylethyl)amino]ethanol
CID 146115734
6-[(2S,4S)-2-[(dimethylamino)methyl]-4-methoxypyrrolidin-1-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-4-amine
CID 146115726
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(hydroxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166304858
(3R,5R)-1-[6-(8-amino-3,4-dihydro-1H-2,7-naphthyridin-2-yl)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 146113316
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166286023
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 146113339
[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622803
(3R,5R)-1-[6-[(2,2-difluorocyclopropyl)methylamino]pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166286004
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[3-(methoxymethyl)cyclobutyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166292020
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166286019
4-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 115416496
6-[(2S,4S)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine
CID 146115719

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 154768232) is 1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine is CO[C@H]1C[C@@H](CN(C)C)N(c2cc(N3CCC=C(F)C3)ncn2)C1.
What is the InChIKey of 1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is VSQDGIINHNTBRL-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H26FN5O/c1-21(2)10-14-7-15(24-3)11-23(14)17-8-16(19-12-20-17)22-6-4-5-13(18)9-22/h5,8,12,14-15H,4,6-7,9-11H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of 1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 335.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 154768232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).