N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C12H12N6O — CID 138053359

IUPACN-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC3Cc4cncn4C3)c12
InChIInChI=1S/C12H12N6O/c1-7-10-11(14-5-15-12(10)19-17-7)16-8-2-9-3-13-6-18(9)4-8/h3,5-6,8H,2,4H2,1H3,(H,14,15,16)
InChIKeyMGZVMTBQDGIFJH-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.16
Rot. Bonds2

About N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 138053359) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID138053359
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC3Cc4cncn4C3)c12
InChIInChI=1S/C12H12N6O/c1-7-10-11(14-5-15-12(10)19-17-7)16-8-2-9-3-13-6-18(9)4-8/h3,5-6,8H,2,4H2,1H3,(H,14,15,16)
InChIKeyMGZVMTBQDGIFJH-UHFFFAOYSA-N
XLogP1.16
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 138053359) is N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(NC3Cc4cncn4C3)c12.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is MGZVMTBQDGIFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-7-10-11(14-5-15-12(10)19-17-7)16-8-2-9-3-13-6-18(9)4-8/h3,5-6,8H,2,4H2,1H3,(H,14,15,16).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 256.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 138053359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).