5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C20H24N4O — CID 136582335

IUPAC5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2c(CN3CCC[C@H]3COc3ccccc3)cnc2n1
InChIInChI=1S/C20H24N4O/c1-15-11-16(2)24-18(12-21-20(24)22-15)13-23-10-6-7-17(23)14-25-19-8-4-3-5-9-19/h3-5,8-9,11-12,17H,6-7,10,13-14H2,1-2H3/t17-/m0/s1
InChIKeyAHWZONPPWBSDIU-KRWDZBQOSA-N
MW336.44 g/mol
LogP3.39
Rot. Bonds5

About 5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 136582335) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID136582335
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2c(CN3CCC[C@H]3COc3ccccc3)cnc2n1
InChIInChI=1S/C20H24N4O/c1-15-11-16(2)24-18(12-21-20(24)22-15)13-23-10-6-7-17(23)14-25-19-8-4-3-5-9-19/h3-5,8-9,11-12,17H,6-7,10,13-14H2,1-2H3/t17-/m0/s1
InChIKeyAHWZONPPWBSDIU-KRWDZBQOSA-N
XLogP3.39
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 136582335) is 5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2c(CN3CCC[C@H]3COc3ccccc3)cnc2n1.
What is the InChIKey of 5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is AHWZONPPWBSDIU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-11-16(2)24-18(12-21-20(24)22-15)13-23-10-6-7-17(23)14-25-19-8-4-3-5-9-19/h3-5,8-9,11-12,17H,6-7,10,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 336.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136582335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).