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

C11H14N4O — CID 20924718

IUPACN-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC3CCCC3)c12
InChIInChI=1S/C11H14N4O/c1-7-9-10(14-8-4-2-3-5-8)12-6-13-11(9)16-15-7/h6,8H,2-5H2,1H3,(H,12,13,14)
InChIKeyNDSHDWKGCBRJQL-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.28
Rot. Bonds2

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

N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20924718) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20924718
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC3CCCC3)c12
InChIInChI=1S/C11H14N4O/c1-7-9-10(14-8-4-2-3-5-8)12-6-13-11(9)16-15-7/h6,8H,2-5H2,1H3,(H,12,13,14)
InChIKeyNDSHDWKGCBRJQL-UHFFFAOYSA-N
XLogP2.28
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20924718) is N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(NC3CCCC3)c12.
What is the InChIKey of N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NDSHDWKGCBRJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-9-10(14-8-4-2-3-5-8)12-6-13-11(9)16-15-7/h6,8H,2-5H2,1H3,(H,12,13,14).
What are the key properties of N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 218.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20924718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).