2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol

C19H27FN6O — CID 128972399

IUPAC2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)n1
InChIInChI=1S/C19H27FN6O/c1-13-5-6-17(27)16(22-13)12-25(4)11-15-9-14(20)10-26(15)18-7-8-21-19(23-18)24(2)3/h5-8,14-15,27H,9-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyUSUVVCYETIIJCT-GJZGRUSLSA-N
MW374.46 g/mol
LogP2.00
Rot. Bonds6

About 2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol

2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 128972399) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID128972399
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)n1
InChIInChI=1S/C19H27FN6O/c1-13-5-6-17(27)16(22-13)12-25(4)11-15-9-14(20)10-26(15)18-7-8-21-19(23-18)24(2)3/h5-8,14-15,27H,9-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyUSUVVCYETIIJCT-GJZGRUSLSA-N
XLogP2.00
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol (CID 128972399) is 2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN(C)C[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)n1.
What is the InChIKey of 2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is USUVVCYETIIJCT-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-13-5-6-17(27)16(22-13)12-25(4)11-15-9-14(20)10-26(15)18-7-8-21-19(23-18)24(2)3/h5-8,14-15,27H,9-12H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of 2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol?
2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 374.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 128972399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).