3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C20H30N4O — CID 84593618

IUPAC3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2c(CN3CCC(OCC4CCCC4)CC3)cnc2n1
InChIInChI=1S/C20H30N4O/c1-15-11-16(2)24-18(12-21-20(24)22-15)13-23-9-7-19(8-10-23)25-14-17-5-3-4-6-17/h11-12,17,19H,3-10,13-14H2,1-2H3
InChIKeyMRYAJOMZJXIUCG-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.52
Rot. Bonds5

About 3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 84593618) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID84593618
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2c(CN3CCC(OCC4CCCC4)CC3)cnc2n1
InChIInChI=1S/C20H30N4O/c1-15-11-16(2)24-18(12-21-20(24)22-15)13-23-9-7-19(8-10-23)25-14-17-5-3-4-6-17/h11-12,17,19H,3-10,13-14H2,1-2H3
InChIKeyMRYAJOMZJXIUCG-UHFFFAOYSA-N
XLogP3.52
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 84593618) is 3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)n2c(CN3CCC(OCC4CCCC4)CC3)cnc2n1.
What is the InChIKey of 3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is MRYAJOMZJXIUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15-11-16(2)24-18(12-21-20(24)22-15)13-23-9-7-19(8-10-23)25-14-17-5-3-4-6-17/h11-12,17,19H,3-10,13-14H2,1-2H3.
What are the key properties of 3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 342.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopentylmethoxy)piperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 84593618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).