(4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine]

C18H26N6 — CID 95207765

IUPAC(4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine]
SMILESCc1cc(CC(C)C)nc(N2CC[C@@]3(C2)NCCc2[nH]cnc23)n1
InChIInChI=1S/C18H26N6/c1-12(2)8-14-9-13(3)22-17(23-14)24-7-5-18(10-24)16-15(4-6-21-18)19-11-20-16/h9,11-12,21H,4-8,10H2,1-3H3,(H,19,20)/t18-/m0/s1
InChIKeyLRZPAGSANHJEGT-SFHVURJKSA-N
MW326.45 g/mol
LogP1.96
Rot. Bonds3

About (4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine]

(4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine] (PubChem CID 95207765) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is (4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine].

Molecular Properties

Compound Name(4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine]
PubChem CID95207765
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name(4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine]
SMILESCc1cc(CC(C)C)nc(N2CC[C@@]3(C2)NCCc2[nH]cnc23)n1
InChIInChI=1S/C18H26N6/c1-12(2)8-14-9-13(3)22-17(23-14)24-7-5-18(10-24)16-15(4-6-21-18)19-11-20-16/h9,11-12,21H,4-8,10H2,1-3H3,(H,19,20)/t18-/m0/s1
InChIKeyLRZPAGSANHJEGT-SFHVURJKSA-N
XLogP1.96
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine]?
The IUPAC name of (4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine] (CID 95207765) is (4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine].
What is the SMILES notation for (4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine]?
The canonical SMILES for (4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine] is Cc1cc(CC(C)C)nc(N2CC[C@@]3(C2)NCCc2[nH]cnc23)n1.
What is the InChIKey of (4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine]?
The InChIKey is LRZPAGSANHJEGT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N6/c1-12(2)8-14-9-13(3)22-17(23-14)24-7-5-18(10-24)16-15(4-6-21-18)19-11-20-16/h9,11-12,21H,4-8,10H2,1-3H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine]?
(4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine] has a molecular weight of 326.45 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1'-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine] is sourced from PubChem (CID 95207765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).