N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C16H25N5O — CID 92692302

IUPACN-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCC[C@H]1CCCCN1CCCNc1ncnc2onc(C)c12
InChIInChI=1S/C16H25N5O/c1-3-13-7-4-5-9-21(13)10-6-8-17-15-14-12(2)20-22-16(14)19-11-18-15/h11,13H,3-10H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyXHJBOITUXYCLBE-ZDUSSCGKSA-N
MW303.41 g/mol
LogP2.99
Rot. Bonds6

About N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 92692302) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID92692302
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCC[C@H]1CCCCN1CCCNc1ncnc2onc(C)c12
InChIInChI=1S/C16H25N5O/c1-3-13-7-4-5-9-21(13)10-6-8-17-15-14-12(2)20-22-16(14)19-11-18-15/h11,13H,3-10H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyXHJBOITUXYCLBE-ZDUSSCGKSA-N
XLogP2.99
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924871
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692303
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 20929284
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 126458706
N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine
CID 113441998
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 166243700
N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 70785850
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 95897596
trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
CID 102738836

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 92692302) is N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CC[C@H]1CCCCN1CCCNc1ncnc2onc(C)c12.
What is the InChIKey of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is XHJBOITUXYCLBE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-13-7-4-5-9-21(13)10-6-8-17-15-14-12(2)20-22-16(14)19-11-18-15/h11,13H,3-10H2,1-2H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 92692302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).