N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C13H18N4O — CID 53004454

IUPACN-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1noc2nc(C)nc(NC3CCCC3)c12
InChIInChI=1S/C13H18N4O/c1-3-10-11-12(16-9-6-4-5-7-9)14-8(2)15-13(11)18-17-10/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyRBXZIOVCRDKAOC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.84
Rot. Bonds3

About N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 53004454) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID53004454
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1noc2nc(C)nc(NC3CCCC3)c12
InChIInChI=1S/C13H18N4O/c1-3-10-11-12(16-9-6-4-5-7-9)14-8(2)15-13(11)18-17-10/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyRBXZIOVCRDKAOC-UHFFFAOYSA-N
XLogP2.84
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 53004454) is N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCc1noc2nc(C)nc(NC3CCCC3)c12.
What is the InChIKey of N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RBXZIOVCRDKAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-10-11-12(16-9-6-4-5-7-9)14-8(2)15-13(11)18-17-10/h9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 246.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-ethyl-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 53004454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).