(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol

C19H30N8O — CID 166286019

IUPAC(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCCC(c3cn(C)nn3)C2)ncn1
InChIInChI=1S/C19H30N8O/c1-24(2)10-15-7-16(28)11-27(15)19-8-18(20-13-21-19)26-6-4-5-14(9-26)17-12-25(3)23-22-17/h8,12-16,28H,4-7,9-11H2,1-3H3/t14?,15-,16-/m1/s1
InChIKeyZAGQNVCDSOGWFI-ANGDWKNPSA-N
MW386.50 g/mol
LogP0.49
Rot. Bonds5

About (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 166286019) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID166286019
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC Name(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCCC(c3cn(C)nn3)C2)ncn1
InChIInChI=1S/C19H30N8O/c1-24(2)10-15-7-16(28)11-27(15)19-8-18(20-13-21-19)26-6-4-5-14(9-26)17-12-25(3)23-22-17/h8,12-16,28H,4-7,9-11H2,1-3H3/t14?,15-,16-/m1/s1
InChIKeyZAGQNVCDSOGWFI-ANGDWKNPSA-N
XLogP0.49
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(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
(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
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
(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)-1-[6-[(2,2-difluorocyclopropyl)methylamino]pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166286004
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 167926610
5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol
CID 146113312
(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-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166285971
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 66057235
5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 66052604

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 166286019) is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol is CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCCC(c3cn(C)nn3)C2)ncn1.
What is the InChIKey of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is ZAGQNVCDSOGWFI-ANGDWKNPSA-N. The full InChI is InChI=1S/C19H30N8O/c1-24(2)10-15-7-16(28)11-27(15)19-8-18(20-13-21-19)26-6-4-5-14(9-26)17-12-25(3)23-22-17/h8,12-16,28H,4-7,9-11H2,1-3H3/t14?,15-,16-/m1/s1.
What are the key properties of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 386.50 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 166286019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).