(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol

C20H26N8O — CID 154797256

IUPAC(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2ccnn2-c2ccccn2)ncn1
InChIInChI=1S/C20H26N8O/c1-26(2)19-10-20(24-14-23-19)27-13-17(29)9-16(27)12-21-11-15-6-8-25-28(15)18-5-3-4-7-22-18/h3-8,10,14,16-17,21,29H,9,11-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyHDUSMHASBSCITM-IAGOWNOFSA-N
MW394.48 g/mol
LogP0.85
Rot. Bonds7

About (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol

(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 154797256) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID154797256
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2ccnn2-c2ccccn2)ncn1
InChIInChI=1S/C20H26N8O/c1-26(2)19-10-20(24-14-23-19)27-13-17(29)9-16(27)12-21-11-15-6-8-25-28(15)18-5-3-4-7-22-18/h3-8,10,14,16-17,21,29H,9,11-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyHDUSMHASBSCITM-IAGOWNOFSA-N
XLogP0.85
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[(5,6,7,8-tetrahydroquinolin-5-ylamino)methyl]pyrrolidin-3-ol
CID 166285882
N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide
CID 146113624
N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-methylbenzenesulfonamide
CID 146112671
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[[1H-imidazol-5-yl(phenyl)methyl]amino]methyl]pyrrolidin-3-ol
CID 146153814
N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 146113645
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 167883421
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-3-ol
CID 146112893
(3R,5R)-1-[6-(methylamino)pyrimidin-4-yl]-5-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-3-ol
CID 146112603
(3R,5R)-1-[6-(1-benzofuran-2-ylmethylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166285970
5-(aminomethyl)-1-pyridin-2-ylpyrrolidin-3-ol
CID 130855888
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(2-methyl-1-benzofuran-3-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166285998
(3R,5R)-1-[6-(1-benzofuran-3-ylmethylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166285984

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol (CID 154797256) is (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol is CN(C)c1cc(N2C[C@H](O)C[C@@H]2CNCc2ccnn2-c2ccccn2)ncn1.
What is the InChIKey of (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is HDUSMHASBSCITM-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H26N8O/c1-26(2)19-10-20(24-14-23-19)27-13-17(29)9-16(27)12-21-11-15-6-8-25-28(15)18-5-3-4-7-22-18/h3-8,10,14,16-17,21,29H,9,11-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol?
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 394.48 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 154797256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).