6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine

C14H13N5O — CID 123650289

IUPAC6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(-c2ccc3c(c2)NCCO3)cn2ccnc12
InChIInChI=1S/C14H13N5O/c15-13-14-17-3-5-19(14)8-11(18-13)9-1-2-12-10(7-9)16-4-6-20-12/h1-3,5,7-8,16H,4,6H2,(H2,15,18)
InChIKeyPBDDMWAXDMSTQK-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.78
Rot. Bonds1

About 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine

6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 123650289) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID123650289
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(-c2ccc3c(c2)NCCO3)cn2ccnc12
InChIInChI=1S/C14H13N5O/c15-13-14-17-3-5-19(14)8-11(18-13)9-1-2-12-10(7-9)16-4-6-20-12/h1-3,5,7-8,16H,4,6H2,(H2,15,18)
InChIKeyPBDDMWAXDMSTQK-UHFFFAOYSA-N
XLogP1.78
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol
CID 146179033
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(3-methoxy-4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 91489187
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(4-ethyl-6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 146179123
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695669
6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82059333
N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
CID 53390643
2-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-amine
CID 151764517
6-[8-(4-pyrrolidin-1-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one
CID 134376937
7-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 72695166
4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine
CID 142578133
6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695259
6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817450

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine (CID 123650289) is 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine is Nc1nc(-c2ccc3c(c2)NCCO3)cn2ccnc12.
What is the InChIKey of 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is PBDDMWAXDMSTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-13-14-17-3-5-19(14)8-11(18-13)9-1-2-12-10(7-9)16-4-6-20-12/h1-3,5,7-8,16H,4,6H2,(H2,15,18).
What are the key properties of 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 267.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 123650289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).