2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine

C15H23N5O2 — CID 46983694

IUPAC2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCCCOCCN1CCN(c2ncnc3oc(C)nc23)CC1
InChIInChI=1S/C15H23N5O2/c1-3-9-21-10-8-19-4-6-20(7-5-19)14-13-15(17-11-16-14)22-12(2)18-13/h11H,3-10H2,1-2H3
InChIKeyJURWZCKDPJVTGG-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.47
Rot. Bonds6

About 2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine

2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 46983694) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID46983694
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCCCOCCN1CCN(c2ncnc3oc(C)nc23)CC1
InChIInChI=1S/C15H23N5O2/c1-3-9-21-10-8-19-4-6-20(7-5-19)14-13-15(17-11-16-14)22-12(2)18-13/h11H,3-10H2,1-2H3
InChIKeyJURWZCKDPJVTGG-UHFFFAOYSA-N
XLogP1.47
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine (CID 46983694) is 2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine is CCCOCCN1CCN(c2ncnc3oc(C)nc23)CC1.
What is the InChIKey of 2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is JURWZCKDPJVTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-9-21-10-8-19-4-6-20(7-5-19)14-13-15(17-11-16-14)22-12(2)18-13/h11H,3-10H2,1-2H3.
What are the key properties of 2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine?
2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 305.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[4-(2-propoxyethyl)piperazin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 46983694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).