1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine

C11H15N5O — CID 75529633

IUPAC1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESc1c[nH]c(CNC[C@H]2Cn3ccnc3CO2)n1
InChIInChI=1S/C11H15N5O/c1-2-14-10(13-1)6-12-5-9-7-16-4-3-15-11(16)8-17-9/h1-4,9,12H,5-8H2,(H,13,14)/t9-/m0/s1
InChIKeySBIVGPTWQCLSMJ-VIFPVBQESA-N
MW233.27 g/mol
LogP0.29
Rot. Bonds4

About 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine

1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 75529633) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
PubChem CID75529633
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESc1c[nH]c(CNC[C@H]2Cn3ccnc3CO2)n1
InChIInChI=1S/C11H15N5O/c1-2-14-10(13-1)6-12-5-9-7-16-4-3-15-11(16)8-17-9/h1-4,9,12H,5-8H2,(H,13,14)/t9-/m0/s1
InChIKeySBIVGPTWQCLSMJ-VIFPVBQESA-N
XLogP0.29
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine (CID 75529633) is 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine is c1c[nH]c(CNC[C@H]2Cn3ccnc3CO2)n1.
What is the InChIKey of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is SBIVGPTWQCLSMJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-14-10(13-1)6-12-5-9-7-16-4-3-15-11(16)8-17-9/h1-4,9,12H,5-8H2,(H,13,14)/t9-/m0/s1.
What are the key properties of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine?
1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 233.27 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 75529633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).