(3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C19H29N7O — CID 167926610

IUPAC(3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2cn3c(n2)CCCC3)ncn1
InChIInChI=1S/C19H29N7O/c1-24(2)11-15-7-16(27)12-26(15)19-8-17(21-13-22-19)20-9-14-10-25-6-4-3-5-18(25)23-14/h8,10,13,15-16,27H,3-7,9,11-12H2,1-2H3,(H,20,21,22)/t15-,16-/m1/s1
InChIKeyYKKYCXCLQVUKIT-HZPDHXFCSA-N
MW371.49 g/mol
LogP1.12
Rot. Bonds6

About (3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 167926610) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID167926610
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name(3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2cn3c(n2)CCCC3)ncn1
InChIInChI=1S/C19H29N7O/c1-24(2)11-15-7-16(27)12-26(15)19-8-17(21-13-22-19)20-9-14-10-25-6-4-3-5-18(25)23-14/h8,10,13,15-16,27H,3-7,9,11-12H2,1-2H3,(H,20,21,22)/t15-,16-/m1/s1
InChIKeyYKKYCXCLQVUKIT-HZPDHXFCSA-N
XLogP1.12
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166285971
[(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764085
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol
CID 146113312
(3R,5R)-1-[6-(1-benzofuran-2-ylmethylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166285970
(3R,5R)-1-[6-[(2,2-difluorocyclopropyl)methylamino]pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166286004
(3R,5R)-1-[6-(1-benzofuran-3-ylmethylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166285984
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 146113334
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[(2-methyl-1-benzofuran-3-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166285998
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[3-(methoxymethyl)cyclobutyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166292020
(3R,5R)-1-[6-[[4-(1,1-difluoroethyl)oxan-4-yl]methylamino]pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 146113320
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166285961

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (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) is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol is CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2cn3c(n2)CCCC3)ncn1.
What is the InChIKey of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is YKKYCXCLQVUKIT-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H29N7O/c1-24(2)11-15-7-16(27)12-26(15)19-8-17(21-13-22-19)20-9-14-10-25-6-4-3-5-18(25)23-14/h8,10,13,15-16,27H,3-7,9,11-12H2,1-2H3,(H,20,21,22)/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 371.49 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 167926610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).