(3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol

C11H17FN4O — CID 72881822

IUPAC(3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol
SMILESCNc1nc(N2C[C@@H](C)[C@@](C)(O)C2)ncc1F
InChIInChI=1S/C11H17FN4O/c1-7-5-16(6-11(7,2)17)10-14-4-8(12)9(13-3)15-10/h4,7,17H,5-6H2,1-3H3,(H,13,14,15)/t7-,11+/m1/s1
InChIKeyHJJFNKGBWKCKFX-HQJQHLMTSA-N
MW240.28 g/mol
LogP0.86
Rot. Bonds2

About (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol

(3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol (PubChem CID 72881822) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol
PubChem CID72881822
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name(3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol
SMILESCNc1nc(N2C[C@@H](C)[C@@](C)(O)C2)ncc1F
InChIInChI=1S/C11H17FN4O/c1-7-5-16(6-11(7,2)17)10-14-4-8(12)9(13-3)15-10/h4,7,17H,5-6H2,1-3H3,(H,13,14,15)/t7-,11+/m1/s1
InChIKeyHJJFNKGBWKCKFX-HQJQHLMTSA-N
XLogP0.86
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol with MolForge

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Related Compounds

5-fluoro-N-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 5302486
(3R*,4R*)-3-cyclopropyl-4-methyl-1-[4-(methylamino)-2-pyrimidinyl]-3-pyrrolidinol
CID 72858871
2-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
CID 50962051
1-(2-Chloro-5-fluoropyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 79075584
1-(5-Fluoro-6-pyrrolidin-1-ylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 117663691
5-fluoro-N,N-dimethyl-4-[(3R)-3-methylpyrrolidin-1-yl]pyrimidin-2-amine
CID 117711080
4-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 130570523
5-fluoro-N-methyl-N-(3-methylbutyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 132240192
5-fluoro-N,N-dimethyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine
CID 134372143
1-[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 169102762
4-[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 169102811
(3S)-4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-fluoro-2-methylbutan-2-ol
CID 169102816

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol (CID 72881822) is (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol is CNc1nc(N2C[C@@H](C)[C@@](C)(O)C2)ncc1F.
What is the InChIKey of (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol?
The InChIKey is HJJFNKGBWKCKFX-HQJQHLMTSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-7-5-16(6-11(7,2)17)10-14-4-8(12)9(13-3)15-10/h4,7,17H,5-6H2,1-3H3,(H,13,14,15)/t7-,11+/m1/s1.
What are the key properties of (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol?
(3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol has a molecular weight of 240.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 72881822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).