(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol

C19H26N8O — CID 167883421

IUPAC(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
SMILESCCn1cnc2c(NC[C@H]3C[C@@H](O)CN3c3cc(N(C)C)ncn3)nccc21
InChIInChI=1S/C19H26N8O/c1-4-26-12-24-18-15(26)5-6-20-19(18)21-9-13-7-14(28)10-27(13)17-8-16(25(2)3)22-11-23-17/h5-6,8,11-14,28H,4,7,9-10H2,1-3H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyJHYXDZGVTMLRMB-ZIAGYGMSSA-N
MW382.47 g/mol
LogP1.36
Rot. Bonds6

About (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol

(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol (PubChem CID 167883421) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
PubChem CID167883421
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
SMILESCCn1cnc2c(NC[C@H]3C[C@@H](O)CN3c3cc(N(C)C)ncn3)nccc21
InChIInChI=1S/C19H26N8O/c1-4-26-12-24-18-15(26)5-6-20-19(18)21-9-13-7-14(28)10-27(13)17-8-16(25(2)3)22-11-23-17/h5-6,8,11-14,28H,4,7,9-10H2,1-3H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyJHYXDZGVTMLRMB-ZIAGYGMSSA-N
XLogP1.36
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-3-ol
CID 146112893
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-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol
CID 154797256
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-[(5,6,7,8-tetrahydroquinolin-5-ylamino)methyl]pyrrolidin-3-ol
CID 166285882
(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-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide
CID 146113650
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
(3R,5R)-5-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 146153868
3-[[(1-benzylimidazo[4,5-c]pyridin-4-yl)amino]methyl]cyclopentan-1-ol
CID 167991983
5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80855641

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol (CID 167883421) is (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol is CCn1cnc2c(NC[C@H]3C[C@@H](O)CN3c3cc(N(C)C)ncn3)nccc21.
What is the InChIKey of (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is JHYXDZGVTMLRMB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H26N8O/c1-4-26-12-24-18-15(26)5-6-20-19(18)21-9-13-7-14(28)10-27(13)17-8-16(25(2)3)22-11-23-17/h5-6,8,11-14,28H,4,7,9-10H2,1-3H3,(H,20,21)/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol?
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 382.47 g/mol, XLogP of 1.36, 6 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-[[(1-ethylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 167883421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).