(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol

C21H28N6O — CID 166285961

IUPAC(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C21H28N6O/c1-26(2)12-16-9-17(28)13-27(16)21-10-20(24-14-25-21)22-8-7-15-11-23-19-6-4-3-5-18(15)19/h3-6,10-11,14,16-17,23,28H,7-9,12-13H2,1-2H3,(H,22,24,25)/t16-,17-/m1/s1
InChIKeyATNVOLGURRWMIT-IAGOWNOFSA-N
MW380.50 g/mol
LogP2.11
Rot. Bonds7

About (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 166285961) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID166285961
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C21H28N6O/c1-26(2)12-16-9-17(28)13-27(16)21-10-20(24-14-25-21)22-8-7-15-11-23-19-6-4-3-5-18(15)19/h3-6,10-11,14,16-17,23,28H,7-9,12-13H2,1-2H3,(H,22,24,25)/t16-,17-/m1/s1
InChIKeyATNVOLGURRWMIT-IAGOWNOFSA-N
XLogP2.11
TPSA80.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
(3R,5R)-1-[6-(1-benzofuran-3-ylmethylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166285984
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
(3R,5R)-1-[6-[(2,2-difluorocyclopropyl)methylamino]pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166286004
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725
4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858233
5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol
CID 146113312
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 112862353
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
4-N-benzyl-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859437

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 166285961) is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol is CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCCc2c[nH]c3ccccc23)ncn1.
What is the InChIKey of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is ATNVOLGURRWMIT-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H28N6O/c1-26(2)12-16-9-17(28)13-27(16)21-10-20(24-14-25-21)22-8-7-15-11-23-19-6-4-3-5-18(15)19/h3-6,10-11,14,16-17,23,28H,7-9,12-13H2,1-2H3,(H,22,24,25)/t16-,17-/m1/s1.
What are the key properties of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 380.50 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 166285961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).