4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol

C10H10N4O2 — CID 100758402

IUPAC4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol
SMILESCc1noc2ncnc(NCC#CCO)c12
InChIInChI=1S/C10H10N4O2/c1-7-8-9(11-4-2-3-5-15)12-6-13-10(8)16-14-7/h6,15H,4-5H2,1H3,(H,11,12,13)
InChIKeyAMUWXSHCUXAWFZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.33
Rot. Bonds2

About 4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol

4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol (PubChem CID 100758402) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol.

Molecular Properties

Compound Name4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol
PubChem CID100758402
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol
SMILESCc1noc2ncnc(NCC#CCO)c12
InChIInChI=1S/C10H10N4O2/c1-7-8-9(11-4-2-3-5-15)12-6-13-10(8)16-14-7/h6,15H,4-5H2,1H3,(H,11,12,13)
InChIKeyAMUWXSHCUXAWFZ-UHFFFAOYSA-N
XLogP0.33
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
CID 20924763
diethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanedioate
CID 20924759
3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 103153700
2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine
CID 115306338
3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 55172610
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72882715
N-[(4-aminophenyl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 116650493
(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 100612013
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72890067
N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 166243700
N-[[2-(ethylamino)-4-pyridinyl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 138019042
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol?
The IUPAC name of 4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol (CID 100758402) is 4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol.
What is the SMILES notation for 4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol?
The canonical SMILES for 4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol is Cc1noc2ncnc(NCC#CCO)c12.
What is the InChIKey of 4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol?
The InChIKey is AMUWXSHCUXAWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-8-9(11-4-2-3-5-15)12-6-13-10(8)16-14-7/h6,15H,4-5H2,1H3,(H,11,12,13).
What are the key properties of 4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol?
4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol has a molecular weight of 218.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol is sourced from PubChem (CID 100758402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).