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

C17H24N6O — CID 95764085

IUPAC[(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(NCc2cn3c(n2)CCCC3)ncn1
InChIInChI=1S/C17H24N6O/c24-11-14-4-3-7-23(14)17-8-15(19-12-20-17)18-9-13-10-22-6-2-1-5-16(22)21-13/h8,10,12,14,24H,1-7,9,11H2,(H,18,19,20)/t14-/m1/s1
InChIKeyVSBPDMIZAZURRI-CQSZACIVSA-N
MW328.42 g/mol
LogP1.58
Rot. Bonds5

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

[(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 95764085) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID95764085
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(NCc2cn3c(n2)CCCC3)ncn1
InChIInChI=1S/C17H24N6O/c24-11-14-4-3-7-23(14)17-8-15(19-12-20-17)18-9-13-10-22-6-2-1-5-16(22)21-13/h8,10,12,14,24H,1-7,9,11H2,(H,18,19,20)/t14-/m1/s1
InChIKeyVSBPDMIZAZURRI-CQSZACIVSA-N
XLogP1.58
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 95764085) is [(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1cc(NCc2cn3c(n2)CCCC3)ncn1.
What is the InChIKey of [(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is VSBPDMIZAZURRI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O/c24-11-14-4-3-7-23(14)17-8-15(19-12-20-17)18-9-13-10-22-6-2-1-5-16(22)21-13/h8,10,12,14,24H,1-7,9,11H2,(H,18,19,20)/t14-/m1/s1.
What are the key properties of [(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 328.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95764085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).