2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine

C12H19N5O — CID 115306338

IUPAC2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine
SMILESCCC(N)(CC)CNc1ncnc2onc(C)c12
InChIInChI=1S/C12H19N5O/c1-4-12(13,5-2)6-14-10-9-8(3)17-18-11(9)16-7-15-10/h7H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyHEIVTFBIOKJLKE-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.86
Rot. Bonds5

About 2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine

2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine (PubChem CID 115306338) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine
PubChem CID115306338
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine
SMILESCCC(N)(CC)CNc1ncnc2onc(C)c12
InChIInChI=1S/C12H19N5O/c1-4-12(13,5-2)6-14-10-9-8(3)17-18-11(9)16-7-15-10/h7H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyHEIVTFBIOKJLKE-UHFFFAOYSA-N
XLogP1.86
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-aminophenyl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 116650493
4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol
CID 100758402
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72882715
diethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanedioate
CID 20924759
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72890067
3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 55172610
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325
N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 138019042
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692303
ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
CID 20924763
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692302
N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 166243700

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine (CID 115306338) is 2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine is CCC(N)(CC)CNc1ncnc2onc(C)c12.
What is the InChIKey of 2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine?
The InChIKey is HEIVTFBIOKJLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-12(13,5-2)6-14-10-9-8(3)17-18-11(9)16-7-15-10/h7H,4-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine?
2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine has a molecular weight of 249.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine is sourced from PubChem (CID 115306338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).