1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine

C13H19N5O — CID 63595897

IUPAC1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
SMILESCc1noc2ncnc(N3CCC(C(C)N)CC3)c12
InChIInChI=1S/C13H19N5O/c1-8(14)10-3-5-18(6-4-10)12-11-9(2)17-19-13(11)16-7-15-12/h7-8,10H,3-6,14H2,1-2H3
InChIKeyMSKPGSPFSIOWER-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.49
Rot. Bonds2

About 1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine

1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine (PubChem CID 63595897) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
PubChem CID63595897
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
SMILESCc1noc2ncnc(N3CCC(C(C)N)CC3)c12
InChIInChI=1S/C13H19N5O/c1-8(14)10-3-5-18(6-4-10)12-11-9(2)17-19-13(11)16-7-15-12/h7-8,10H,3-6,14H2,1-2H3
InChIKeyMSKPGSPFSIOWER-UHFFFAOYSA-N
XLogP1.49
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine (CID 63595897) is 1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine is Cc1noc2ncnc(N3CCC(C(C)N)CC3)c12.
What is the InChIKey of 1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine?
The InChIKey is MSKPGSPFSIOWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8(14)10-3-5-18(6-4-10)12-11-9(2)17-19-13(11)16-7-15-12/h7-8,10H,3-6,14H2,1-2H3.
What are the key properties of 1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine?
1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63595897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).